Information card for entry 7155117

Structure parameters

• Formula: C29 H26 N2 O2
• Calculated formula: C29 H26 N2 O2
• SMILES: c12c(c3ccccc3n2[C@@H]([C@H](C1)C(=O)OCC)c1cn(c2c1cccc2)C)c1ccccc1.c12c(c3ccccc3n2[C@H]([C@@H](C1)C(=O)OCC)c1cn(c2c1cccc2)C)c1ccccc1
• Title of publication: Expedient synthesis of densely substituted pyrrolo[1,2-a]indoles.
• Authors of publication: Dethe, Dattatraya H.; Boda, Raghavender
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 5843 - 5860
• a: 9.929 ± 0.004 Å
• b: 10.675 ± 0.004 Å
• c: 12.143 ± 0.004 Å
• α: 90.655 ± 0.007°
• β: 113.506 ± 0.006°
• γ: 109.344 ± 0.006°
• Cell volume: 1098.2 ± 0.7 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: 0.067
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No