Information card for entry 8105612

Structure parameters

• Formula: C26 H22 N2 O2
• Calculated formula: C26 H22 N2 O2
• SMILES: N1(N=C(CC1c1c2ccccc2cc2ccccc12)c1ccc(O)cc1)C(=O)CC
• Title of publication: Crystal structure of 1-(5-(anthracen-9-yl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)propan-1-one, C26H22N2O2
• Authors of publication: Feng, Qi; Wang, Jiali; Huan, Wenhui; Lu, Jiadan; Diao, Guowang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 2
• Pages of publication: 261 - 263
• a: 16.4367 ± 0.0008 Å
• b: 12.7804 ± 0.0006 Å
• c: 19.5474 ± 0.0008 Å
• α: 90°
• β: 96.17 ± 0.0014°
• γ: 90°
• Cell volume: 4082.5 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No