Information card for entry 8107577

Structure parameters

• Formula: C26 H24 N2 O2
• Calculated formula: C26 H24 N2 O2
• SMILES: O(C(=O)n1cc(c2c(/N=C/c3ccccc3)cccc2)c2c1cccc2)C(C)(C)C
• Title of publication: The crystal structure of tert-butyl (E)-3-(2-(benzylideneamino)phenyl)-1H-indole-1-carboxylate, C26H24N2O2
• Authors of publication: Da, Weihao; Kong, Haonan; Wang, Ruiyao; Lin, Yi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 5
• Pages of publication: 837 - 839
• a: 10.949 ± 0.006 Å
• b: 9.93 ± 0.005 Å
• c: 20.125 ± 0.013 Å
• α: 90°
• β: 98.51 ± 0.03°
• γ: 90°
• Cell volume: 2164 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0704
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No