Information card for entry 2004649

Structure parameters

• Chemical name: 1,8-Dimethyl-2-[(3-furoyl)aminomethyl]-5-phenyl- 2,3-dihydro-1H-1,4-benzodiazepin-4-ium Chloride
• Formula: C23 H24 Cl N3 O2
• Calculated formula: C23 H24 Cl N3 O2
• Title of publication: 2-[(3-Furoyl)aminomethyl]-1,7-dimethyl-5-phenyl-2,3-dihydro-1<i>H</i>-1,4-benzodiazepin-4-ium Chloride
• Authors of publication: Blaton, N. M.; Peeters, O. M.; Meurisse, R. L.; De Ranter, C. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 691 - 692
• a: 6.178 ± 0.001 Å
• b: 13.787 ± 0.002 Å
• c: 24.819 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2114 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• 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: 0.0824
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections: 0.1109
• Weighted residual factors for significantly intense reflections: 0.1109
• Goodness-of-fit parameter for all reflections: 1.03
• Goodness-of-fit parameter for significantly intense reflections: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No