Information card for entry 7117227

Structure parameters

• Formula: C28 H31 N3
• Calculated formula: C28 H31 N3
• SMILES: N1(/C(=N/C2CCCCC2)C(=C2C1=Nc1c2cccc1)c1ccccc1)C1CCCCC1
• Title of publication: Cobalt(II)/silver relay catalytic isocyanide insertion/cycloaddition cascades: a new access to pyrrolo[2,3-b]indoles
• Authors of publication: Qian Gao; Peng Zhou; Feng Liu; Wen-Juan Hao; Changsheng Yao; Bo Jiang; Shu-Jiang Tu
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 9519
• a: 31.282 ± 0.003 Å
• b: 8.8017 ± 0.0007 Å
• c: 19.4725 ± 0.0019 Å
• α: 90°
• β: 121.27 ± 0.003°
• γ: 90°
• Cell volume: 4582.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1276
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1612
• Weighted residual factors for all reflections included in the refinement: 0.209
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No