Information card for entry 2011443

Structure parameters

• Formula: C24 H25 Cl N2 O6
• Calculated formula: C24 H25 Cl N2 O6
• Title of publication: Diéthyl 10-chloro-7-méthyl-6-oxo-11b-phényl-2,3,5,6,7,11b-héxahydrooxazolino[3,2-<i>d</i>][1,4]benzodiazépine-2,3-carboxylate
• Authors of publication: Benelbaghdadi, R.; Benharref, A.; Hasnaoui, A.; Lavergne, J. P.; Pierrot, M.; Huet, F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 10
• Pages of publication: e461 - e462
• a: 9.9783 ± 0.0003 Å
• b: 20.4064 ± 0.0007 Å
• c: 11.1476 ± 0.0003 Å
• α: 90 ± 0.01°
• β: 93.231 ± 0.002°
• γ: 90 ± 0.01°
• Cell volume: 2266.28 ± 0.12 ų
• Cell temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections: 1.492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.53
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes