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 |