Information card for entry 8106270

Structure parameters

• Formula: C28 H29 N3 O3
• Calculated formula: C28 H29 N3 O3
• Title of publication: Crystal structure of 2-[[4-[2-[4-(4-methoxyphenyl)-1-piperazinyl]ethyl]phenyl] methyl]-1H-isoindole-1,3(2H)-dione, C28H29N3O3
• Authors of publication: Zhou, Jinhui; Huang, Cuicui; Shi, Maojian; Liu, Jing; Ding, Lin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 4
• Pages of publication: 711 - 714
• a: 8.2887 ± 0.0003 Å
• b: 14.1977 ± 0.0005 Å
• c: 21.3385 ± 0.0007 Å
• α: 107.142 ± 0.003°
• β: 92.773 ± 0.003°
• γ: 104.24 ± 0.003°
• Cell volume: 2305.95 ± 0.15 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.062
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No