Information card for entry 8107333

Structure parameters

• Formula: C33 H31 Br N4 O3
• Calculated formula: C33 H31 Br N4 O3
• Title of publication: The crystal structure of (E)-2-((5-bromo-2-hydroxybenzylidene)amino)-3′,6′-bis(ethylamino)-2′, 7′-dimethylspiro[isoindoline-1,9′-xanthen]-3-one, C33H31BrN4O3
• Authors of publication: Xiao, Zhenxiu; Wu, Li; Su, Yizi; Jiang, Wujiu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 6
• Pages of publication: 1197 - 1199
• a: 9.3451 ± 0.0007 Å
• b: 17.3057 ± 0.0013 Å
• c: 18.4402 ± 0.0013 Å
• α: 90°
• β: 98.447 ± 0.001°
• γ: 90°
• Cell volume: 2949.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0708
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No