x | y | z | Uiso*/Ueq | ||
C1 | 0.3883 (2) | 0.69673 (14) | 0.5168 (4) | 0.0625 (7) | |
C2 | 0.3335 (2) | 0.75663 (16) | 0.4960 (4) | 0.0705 (8) | |
C3 | 0.2195 (3) | 0.7603 (2) | 0.4580 (5) | 0.0854 (10) | |
H3 | 0.184711 | 0.800998 | 0.441177 | 0.102* | |
C4 | 0.1603 (3) | 0.7044 (2) | 0.4460 (5) | 0.0881 (11) | |
H4 | 0.084543 | 0.707238 | 0.418648 | 0.106* | |
C5 | 0.2102 (3) | 0.64177 (19) | 0.4739 (4) | 0.0768 (9) | |
C6 | 0.1485 (3) | 0.5844 (2) | 0.4686 (5) | 0.0945 (11) | |
H6 | 0.073038 | 0.587938 | 0.447096 | 0.113* | |
C7 | 0.1946 (4) | 0.5244 (2) | 0.4937 (5) | 0.1018 (12) | |
H7 | 0.151649 | 0.487132 | 0.490683 | 0.122* | |
C8 | 0.3094 (3) | 0.51870 (19) | 0.5248 (5) | 0.0917 (10) | |
H8 | 0.342052 | 0.477395 | 0.540440 | 0.110* | |
C9 | 0.3719 (3) | 0.57345 (16) | 0.5317 (4) | 0.0758 (8) | |
H9 | 0.447121 | 0.568790 | 0.552983 | 0.091* | |
C10 | 0.3259 (2) | 0.63747 (15) | 0.5075 (4) | 0.0666 (8) | |
C11 | 0.3496 (3) | 0.87489 (16) | 0.5162 (5) | 0.0818 (10) | |
H11A | 0.307563 | 0.876744 | 0.608818 | 0.098* | |
H11B | 0.301597 | 0.884936 | 0.394231 | 0.098* | |
C12 | 0.4418 (4) | 0.92253 (19) | 0.5636 (7) | 0.1034 (12) | |
H12A | 0.413575 | 0.966242 | 0.566169 | 0.155* | |
H12B | 0.488685 | 0.911972 | 0.684440 | 0.155* | |
H12C | 0.482748 | 0.920123 | 0.470930 | 0.155* | |
C13 | 0.5070 (2) | 0.69926 (14) | 0.5483 (4) | 0.0637 (7) | |
H13 | 0.537591 | 0.740457 | 0.541243 | 0.076* | |
C14 | 0.6849 (2) | 0.66195 (13) | 0.6046 (4) | 0.0620 (7) | |
C15 | 0.7241 (3) | 0.69702 (15) | 0.4745 (5) | 0.0827 (10) | |
H15 | 0.675637 | 0.716373 | 0.372129 | 0.099* | |
C16 | 0.8353 (3) | 0.70314 (18) | 0.4975 (6) | 0.0942 (12) | |
H16 | 0.861669 | 0.726596 | 0.410256 | 0.113* | |
C17 | 0.9070 (3) | 0.67484 (17) | 0.6482 (6) | 0.0859 (10) | |
H17 | 0.981742 | 0.679759 | 0.663076 | 0.103* | |
C18 | 0.8696 (2) | 0.63895 (14) | 0.7789 (5) | 0.0725 (8) | |
C19 | 0.9511 (3) | 0.6076 (2) | 0.9406 (7) | 0.1064 (12) | |
H19A | 0.998028 | 0.578883 | 0.890880 | 0.128* | |
H19B | 0.996683 | 0.641912 | 1.011812 | 0.128* | |
C20 | 0.9048 (4) | 0.5702 (3) | 1.0659 (9) | 0.1519 (18) | |
H20A | 0.944397 | 0.528870 | 1.087031 | 0.182* | |
H20B | 0.922970 | 0.593431 | 1.184568 | 0.182* | |
C21 | 0.7955 (4) | 0.5545 (4) | 1.0294 (9) | 0.169 (2) | |
H21A | 0.775939 | 0.555005 | 1.148089 | 0.203* | |
H21B | 0.787436 | 0.509438 | 0.984530 | 0.203* | |
C22 | 0.7136 (3) | 0.5943 (2) | 0.8964 (5) | 0.0927 (11) | |
H22A | 0.680842 | 0.624872 | 0.966960 | 0.111* | |
H22B | 0.656127 | 0.565356 | 0.828032 | 0.111* | |
C23 | 0.7575 (2) | 0.63267 (13) | 0.7572 (4) | 0.0628 (7) | |
N1 | 0.5720 (2) | 0.65120 (12) | 0.5839 (4) | 0.0702 (7) | |
O1 | 0.39688 (19) | 0.81145 (11) | 0.5147 (4) | 0.0871 (7) |