Information card for entry 2007149

Structure parameters

• Formula: C27 H25 Cl N4 O2
• Calculated formula: C27 H25 Cl N4 O2
• Title of publication: Some 1,3-Dipolar Adducts from Benzodiazepine. I. Condensation of Nitrilimines with 2-Methyl-4-phenyl-1,5-benzodiazepines
• Authors of publication: Essaber, Mohamed; Baouid, Abdesselam; Hasnaoui, Aïssa; Giorgi, Michel; Pierrot, Marcel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 519 - 521
• a: 12.985 ± 0.001 Å
• b: 14.036 ± 0.002 Å
• c: 13.314 ± 0.003 Å
• α: 90 ± 0.2°
• β: 102.7 ± 0.3°
• γ: 90 ± 0.3°
• Cell volume: 2367 ± 3 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 5
• 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: 0.194
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.065
• Goodness-of-fit parameter for significantly intense reflections: 1.877
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes