Information card for entry 2224447

Structure parameters

• Chemical name: 3-Allyl-1,5-dibenzyl-1,5-benzodiazepine-2,4-dione
• Formula: C26 H24 N2 O2
• Calculated formula: C26 H24 N2 O2
• SMILES: O=C1N(c2c(N(C(=O)C1CC=C)Cc1ccccc1)cccc2)Cc1ccccc1
• Title of publication: 3-Allyl-1,5-dibenzyl-1,5-benzodiazepine-2,4-dione
• Authors of publication: Jabli, Hind; Kandri Rodi, Y.; Saffon, Natalie; Essassi, El Mokhtar; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3150
• a: 9.2603 ± 0.0004 Å
• b: 14.0037 ± 0.0006 Å
• c: 16.2249 ± 0.0007 Å
• α: 90°
• β: 91.996 ± 0.001°
• γ: 90°
• Cell volume: 2102.74 ± 0.16 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes