Information card for entry 7228470

Structure parameters

• Formula: C26 H22 F N O4
• Calculated formula: C26 H22 F N O4
• SMILES: O=C(OCC)c1c2cc(F)cc3c2c2n(c1C)c1c(c2c(c3C(=O)OCC)C)cccc1
• 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: 12.2335 ± 0.0005 Å
• b: 13.079 ± 0.0006 Å
• c: 14.4423 ± 0.0005 Å
• α: 95.978 ± 0.003°
• β: 106.554 ± 0.004°
• γ: 105.092 ± 0.004°
• Cell volume: 2098.54 ± 0.17 ų
• Cell temperature: 571 ± 2 K
• Ambient diffraction temperature: 571 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1835
• Weighted residual factors for all reflections included in the refinement: 0.1957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No