Information card for entry 4031870

Structure parameters

• Formula: C30.67 H21.33 N2.67 O5.33
• Calculated formula: C30.6667 H21.3333 N2.66667 O5.33333
• Title of publication: A Serendipitous Synthesis of 11a-Hydroxy-11,11a-dihydrobenzo[e]indeno[2,1-b][1,4]diazepine-10,12-dione Derivatives by Condensation of 2-Aminobenzamides with Ninhydrin in Water.
• Authors of publication: Devi, Rajkumari Vijilata; Garande, Ashok M.; Maity, Dilip K.; Bhate, Prakash M.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 4
• Pages of publication: 1689 - 1695
• a: 8.2207 ± 0.0006 Å
• b: 13.3837 ± 0.001 Å
• c: 17.1443 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1886.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0318
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No