Information card for entry 7224627

Structure parameters

• Formula: C22 H20 N2 O2
• Calculated formula: C22 H20 N2 O2
• SMILES: O=C(N(c1c(N(C(=O)c2ccccc2)C)cccc1)C)c1ccccc1
• Title of publication: Homochiral crystal generation via sequential dehydration and Viedma ripening
• Authors of publication: Sivakumar, Reajean; Askari, Mohammad S.; Woo, Simon; Madwar, Carolin; Ottenwaelder, Xavier; Bohle, D. Scott; Cuccia, Louis A.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 23
• Pages of publication: 4277
• a: 8.2411 ± 0.0001 Å
• b: 14.0973 ± 0.0002 Å
• c: 16.1938 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1881.35 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No