Skip to main content
. 2019 Aug 1;75(Pt 4):463–474. doi: 10.1107/S2052520619006711

Table 2. Structure solution and refinement based on ADT data for 9,9′-bianthracene-10-carbo­nitrile (CNBA), tri-p-benzamide (OPBA3) and carbamazepine (CBMZ).

CBMZ1 and CBMZ2 are solved structures using EDT from van Genderen et al. (2016) using a Timepix ASIC detector (software: Amsterdam scientific instruments, Netherlands) and Jones et al. (2018) using Ceta CMOS (Thermo Fisher) detector. Measurement conditions indicate the use of sample cooling (RT: room temperature; LT: liquid nitro­gen cooling) and the used detector.

Sample Chemical formula Space group Lateral crystal size (nm) Measurement conditions Tilt range (°) No. of reflections measured, independent Completeness (%) R int, R solution (@res) R 1(@res)
CNBA C29N1 P21/c 700 × 700 RT CCD 120 9415, 3519 87 21.8, 24.4 (8) 39.0 (8)
OPBA3 C18O6N3H15 P21/c 500 × 1000 RT CCD 120 9185, 3078 81 34.6 (10) 58.0 (10)
CBMZ C15N2OH12 P21/n 150 × 100 LT CCD 97 5495, 3588 89 15.9, 26.8 (8) 43.6 (6)
CBMZ1 C15N2OH12 P21/n 1200 × 800 RT ASIC 51 2202, 1071 45 35.8, – (0.8) 28
CBMZ2 C15N2OH12 P21/n 700 × 1600 LT CMOS 140 4682, 1044 88 19.5, – (1.0) 19.3

Burla et al. (2015).

Sheldrick (1997, 2015).