Information card for entry 7062283

Structure parameters

• Formula: C37 H27 F N4 O3
• Calculated formula: C37 H27 F N4 O3
• SMILES: Cn1c2ccccc2c(c1)[C@@]12C(=O)N(C(=O)[C@@H]1[C@]1(c3c4c(cccc4)[nH]c23)C(=O)N(Cc2ccccc2)c2c1cc(cc2)F)C.Cn1c2ccccc2c(c1)[C@]12C(=O)N(C(=O)[C@H]1[C@@]1(c3c4c(cccc4)[nH]c23)C(=O)N(Cc2ccccc2)c2c1cc(cc2)F)C
• Title of publication: Selective construction of polycyclic cyclohepta[b]indoles and cyclopenta[b]indoles via cycloaddition reaction of 3-(indol-3-yl)maleimides and (indol-2-yl)methanols
• Authors of publication: Sun, Jing; Yan, Chen; Sun, Qiu; Han, Ying; Yan, Chao-Guo
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 14
• Pages of publication: 6694 - 6699
• a: 30.155 ± 0.003 Å
• b: 9.1523 ± 0.0009 Å
• c: 25.15 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6941.1 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.2335
• Residual factor for significantly intense reflections: 0.1035
• Weighted residual factors for significantly intense reflections: 0.2609
• Weighted residual factors for all reflections included in the refinement: 0.301
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No