Information card for entry 8106260

Structure parameters

• Formula: C24 H21 N O5 S
• Calculated formula: C24 H21 N O5 S
• Title of publication: Crystal structure of 4-((1,3-dioxoisoindolin-2-yl)methyl)phenethyl 4-methylbenzenesulfonate, C24H21NO5S
• Authors of publication: Cuicui, Huang; Shi, Maojian; Liu, Jing; Ding, Lin; Zhou, Jinhui
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 4
• Pages of publication: 683 - 684
• a: 7.779 ± 0.0016 Å
• b: 22.726 ± 0.005 Å
• c: 12.755 ± 0.003 Å
• α: 90°
• β: 107.15 ± 0.03°
• γ: 90°
• Cell volume: 2154.6 ± 0.9 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• 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: 0.0651
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No