Information card for entry 8105631

Structure parameters

• Formula: C30 H23 N O2
• Calculated formula: C30 H23 N O2
• SMILES: O=C(c1ccc2c(c1)cccc2)CC(c1ncccc1)CC(=O)c1cc2c(cccc2)cc1
• Title of publication: The crystal structure of 1,5-di(naphthalen-2-yl)-3-(pyridin-2-yl)pentane-1,5-dione, C30H23NO2
• Authors of publication: Zuo, Zhenyu; Hu, Kunxia; Song, Xiao; Zhang, Hong; Tang, Zhishu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 2
• Pages of publication: 325 - 326
• a: 10.7674 ± 0.0016 Å
• b: 19.542 ± 0.003 Å
• c: 20.97 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4412.4 ± 1.1 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153.03 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No