Information card for entry 7151815

Structure parameters

• Common name: Methyl 6-(3-nitrophenyl)-1,2,6,7-tetrahydroindolo(1,7-ab)(1,5)benzodiazepine-9-carboxylate
• Chemical name: Methyl 6-(3-nitrophenyl)-1,2,6,7-tetrahydroindolo[1,7-ab][1,5]benzodiazepine-9-carboxylate
• Formula: C23 H19 N3 O4
• Calculated formula: C23 H19 N3 O4
• SMILES: C1(c2cccc3CCN(c4ccc(cc4N1)C(=O)OC)c23)c1cccc(c1)N(=O)=O
• Title of publication: Soluble polymer supported divergent synthesis of tetracyclic benzene-fused pyrazino/diazepino indoles: an advanced synthetic approach to bioactive scaffolds.
• Authors of publication: Lin, Po-Tsung; Salunke, Deepak B.; Chen, Li-Hsun; Sun, Chung-Ming
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 2925 - 2937
• a: 6.7967 ± 0.0002 Å
• b: 12.1325 ± 0.0003 Å
• c: 12.4682 ± 0.0003 Å
• α: 69.546 ± 0.001°
• β: 81.774 ± 0.001°
• γ: 85.665 ± 0.001°
• Cell volume: 953.04 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No