Information card for entry 2011435

Structure parameters

• Formula: C23 H25 N3 O2
• Calculated formula: C23 H25 N3 O2
• Title of publication: 1-Mésityl-6-méthyl-3a,4-propano-3a,4,5,6-tétrahydro[1,2,4]oxadiazolo[4,5-<i>a</i>][1,5]benzodiazépin-5-one
• Authors of publication: Aatif, A.; Baouid, A.; Hasnaoui, A.; Pierrot, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 10
• Pages of publication: e459 - e460
• a: 14.4861 ± 0.0005 Å
• b: 16.872 ± 0.001 Å
• c: 17.9161 ± 0.0006 Å
• α: 90 ± 0.01°
• β: 152.698 ± 0.002°
• γ: 90 ± 0.01°
• Cell volume: 2008.5 ± 0.2 ų
• Cell temperature: 298 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: 0.075
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections: 1.451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.399
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes