Information card for entry 4026064

Structure parameters

• Chemical name: 15b-Methyl-1H-benzo[e]indolo[1,2-a]pyrrolo[2,1-c][1,4]diazepine- -3,9(2H,15bH)-dione
• Formula: C20 H16 N2 O2
• Calculated formula: C20 H16 N2 O2
• SMILES: N12C(=O)CCC1(c1n(c3c(c1)cccc3)C(=O)c1ccccc21)C
• Title of publication: Silver- and Gold-Mediated Domino Transformation: A Strategy for Synthesizing Benzo[e]indolo[1,2-a]pyrrolo/pyrido[2,1-c][1,4]diazepine-3,9-diones
• Authors of publication: Yu Zhou; Jian Li; Xun Ji; Wei Zhou; Xu Zhang; Wangke Qian; Hualiang Jiang; Hong Liu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 1239 - 1249
• a: 17.9076 ± 0.0016 Å
• b: 7.1357 ± 0.0006 Å
• c: 11.9889 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1532 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No