Information card for entry 7228469

Structure parameters

• Formula: C20 H17 N O2
• Calculated formula: C20 H17 N O2
• SMILES: c12c(c3ccccc3[nH]2)c(c(c2c1cccc2)C(=O)OCC)C
• Title of publication: Rhodium(iii)-catalyzed indole-directed carbenoid aryl C‒H insertion/cyclization: access to 1,2-benzocarbazoles
• Authors of publication: Zhang, Zhenhui; Liu, Kunkun; Chen, Xun; Su, Shi-Jian; Deng, Yuanfu; Zeng, Wei
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 49
• Pages of publication: 30554
• a: 10.391 ± 0.0004 Å
• b: 17.2188 ± 0.0006 Å
• c: 8.7009 ± 0.0003 Å
• α: 90°
• β: 98.489 ± 0.004°
• γ: 90°
• Cell volume: 1539.71 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No