Information card for entry 7155313

Structure parameters

• Formula: C18 H15 Cl N2 O
• Calculated formula: C18 H15 Cl N2 O
• SMILES: Clc1ccc2c3c(nc(c2c1)C1N(C(=O)CC1)C)cccc3
• Title of publication: Visible-light-promoted synthesis of phenanthridines via an intermolecular isocyanide insertion reaction.
• Authors of publication: Zhou, Hui; Deng, Xin Zhao; Zhang, Ai Hua; Tan, Ren Xiang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 44
• Pages of publication: 10407 - 10414
• a: 8.2579 ± 0.0005 Å
• b: 16.2062 ± 0.001 Å
• c: 21.6169 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2893 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No