Information card for entry 7127873

Structure parameters

• Formula: C37 H31 F N2 O3
• Calculated formula: C37 H31 F N2 O3
• SMILES: Fc1ccc2N[C@]34Oc5c([C@@H]4[C@@H](c4ccccc4)[C@]4([C@H]3c2c1)C(=O)N(c1ccccc41)C)c1ccccc1cc5.OCC.Fc1ccc2N[C@@]34Oc5c([C@H]4[C@H](c4ccccc4)[C@@]4([C@@H]3c2c1)C(=O)N(c1ccccc41)C)c1ccccc1cc5.OCC
• Title of publication: Asymmetric syntheses of spiro[benzofuro-cyclopenta[1,2-b]indole-indoline] scaffolds via consecutive cyclization.
• Authors of publication: Zhang, Heng; Guan, Xu-Kai; Sun, Dong-Yang; Liu, Guo-Feng; Gao, Ji-Gang; Zhang, Guang-Liang; Zhang, Suo-Qin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 18
• Pages of publication: 2313 - 2316
• a: 12.2076 ± 0.0015 Å
• b: 22.78 ± 0.003 Å
• c: 10.9946 ± 0.0013 Å
• α: 90°
• β: 105.542 ± 0.002°
• γ: 90°
• Cell volume: 2945.7 ± 0.6 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• 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: 0.132
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1888
• Weighted residual factors for all reflections included in the refinement: 0.2238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No