Information card for entry 7158642

Structure parameters

• Formula: C34 H28 N3 O3
• Calculated formula: C34 H28 N3 O3
• SMILES: CCOC(=O)NNc1c(c2c(cc1)cccc2)c1c(C(c2ccccc2)(c2ccccc2)O)[nH]c2c1cccc2
• Title of publication: Diversity synthesis of indole derivatives <i>via</i> catalyst control cyclization reaction of 2-indolylmethanols and azonaphthalene.
• Authors of publication: Cheng, Ya-Long; Wu, Guoqing; Zang, Yong-Jun; Hu, Yuan-Yang; Qin, Lu-Zhe; Wen, Xiaoan; Xu, Qing-Long
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 19
• Pages of publication: 3930 - 3939
• a: 10.3432 ± 0.001 Å
• b: 11.855 ± 0.009 Å
• c: 12.43 ± 0.009 Å
• α: 79.657 ± 0.015°
• β: 66.16 ± 0.02°
• γ: 74.86 ± 0.04°
• Cell volume: 1341 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.2444
• Residual factor for significantly intense reflections: 0.1549
• Weighted residual factors for significantly intense reflections: 0.2141
• Weighted residual factors for all reflections included in the refinement: 0.2436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No