Information card for entry 8104813

Structure parameters

• Formula: C23 H16 Br N O
• Calculated formula: C23 H16 Br N O
• SMILES: Brc1ccc2c(/C(=C/C(=O)c3ccccc3)c3ccccc3)c[nH]c2c1
• Title of publication: Crystal structure of (Z)-3-(6-bromo-1H-indol-3-yl)-1,3-diphenylprop-2-en-1-one, C23H16BrNO
• Authors of publication: Pan, Fei; Wei, Xian; Lv, Menglan Lan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 2
• Pages of publication: 305 - 306
• a: 9.914 ± 0.003 Å
• b: 10.141 ± 0.003 Å
• c: 10.179 ± 0.003 Å
• α: 90.177 ± 0.005°
• β: 112.202 ± 0.005°
• γ: 95.167 ± 0.005°
• Cell volume: 942.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No