| Crystal data |
| Chemical formula |
C14H18O3
|
C21H24O3
|
C21H22O3
|
|
M
r
|
234.28 |
324.40 |
322.39 |
| Crystal system, space group |
Orthorhombic, P
b
c
a
|
Monoclinic, P21/c
|
Orthorhombic, P212121
|
| Temperature (K) |
120 |
120 |
120 |
|
a, b, c (Å) |
10.997 (2), 7.7489 (9), 27.852 (4) |
12.8872 (3), 19.3544 (6), 6.8046 (1) |
5.6392 (2), 11.0427 (5), 26.6311 (13) |
| α, β, γ (°) |
90, 90, 90 |
90, 92.3907 (16), 90 |
90, 90, 90 |
|
V (Å3) |
2373.4 (6) |
1695.75 (7) |
1658.37 (13) |
|
Z
|
8 |
4 |
4 |
| Radiation type |
Mo Kα |
Mo Kα |
Mo Kα |
| μ (mm−1) |
0.09 |
0.08 |
0.09 |
| Crystal size (mm) |
0.18 × 0.08 × 0.02 |
0.14 × 0.10 × 0.04 |
0.34 × 0.14 × 0.04 |
| |
| Data collection |
| Diffractometer |
Nonius KappaCCD |
Nonius KappaCCD |
Nonius KappaCCD |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
13446, 2312, 1303 |
28187, 3899, 2834 |
12562, 2221, 1867 |
|
R
int
|
0.137 |
0.091 |
0.073 |
| (sin θ/λ)max (Å−1) |
0.617 |
0.651 |
0.650 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.095, 0.148, 1.09 |
0.053, 0.132, 1.06 |
0.123, 0.279, 1.17 |
| No. of reflections |
2312 |
3899 |
2221 |
| No. of parameters |
161 |
222 |
190 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
H atoms treated by a mixture of independent and constrained refinement |
H-atom parameters constrained |
| |
|
|
|
| Δρmax, Δρmin (e Å−3) |
0.25, −0.27 |
0.30, −0.23 |
0.40, −0.44 |
