Information card for entry 1553967

Structure parameters

• Formula: C15 H7 Cl F N O
• Calculated formula: C15 H7 Cl F N O
• SMILES: Clc1c2cc3c(oc2ccc1)nc1c3cc(F)cc1
• Title of publication: Elemental sulfur accelerated the reactivity of the 3-position of indole for the construction of chromeno[2,3-b]indoles
• Authors of publication: Liu, Jianming; Yan, Xuyang; Liu, Na; Zhang, Yanyan; Zhao, Shufang; Wang, Xiaopei; Zhuo, Kelei; Yue, Yuanyuan
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 6
• Pages of publication: 1034
• a: 8.9388 ± 0.0002 Å
• b: 9.7832 ± 0.0002 Å
• c: 13.5584 ± 0.0003 Å
• α: 90°
• β: 107.86 ± 0.003°
• γ: 90°
• Cell volume: 1128.54 ± 0.05 ų
• Cell temperature: 294.5 ± 0.7 K
• Ambient diffraction temperature: 294.5 ± 0.7 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No