Information card for entry 7245456

Structure parameters

• Formula: C30 H25 N O2
• Calculated formula: C30 H25 N O2
• SMILES: O1c2c([C@@]34Nc5c([C@@]3([C@H](O[C@@H]4Cc3ccccc3)c3ccccc3)C1)cccc5)cccc2.O1c2c([C@]34Nc5c([C@]3([C@@H](O[C@H]4Cc3ccccc3)c3ccccc3)C1)cccc5)cccc2
• Title of publication: Base-catalyzed and DMSO-promoted intramolecular hydroalkoxylation to prepare pentacyclic chromeno[4,3-b]indolines
• Authors of publication: Nie, Chang-Rui; Zhao, Hong-Ping; Liang, Wang-Fu; Zhong, Xin-Xian; Liang, Cui; Su, Gui-Fa; Mo, Dong-Liang
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 18
• Pages of publication: 6854 - 6859
• a: 9.206 ± 0.003 Å
• b: 10.087 ± 0.003 Å
• c: 13.161 ± 0.004 Å
• α: 99.033 ± 0.004°
• β: 97.884 ± 0.004°
• γ: 107.657 ± 0.004°
• Cell volume: 1127.7 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No