Information card for entry 8105793

Structure parameters

• Formula: C33 H34 Br N5 O3
• Calculated formula: C33 H34 Br N5 O3
• Title of publication: Crystal structure of (E)-2-(((6-bromopyridin-2-yl)methylene)amino)-3′,6′-bis(ethylamino)-2′,7′-dimethylspiro[isoindoline-1,9′-xanthen]-3-one—methanol (1:1), C32H30N5O2Br ⋅ CH4O
• Authors of publication: Xing, Ai-Ping; Zeng, Dai
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 4
• Pages of publication: 599 - 601
• a: 9.1179 ± 0.0002 Å
• b: 9.3291 ± 0.0003 Å
• c: 18.4706 ± 0.0006 Å
• α: 91.187 ± 0.003°
• β: 95.764 ± 0.002°
• γ: 102.256 ± 0.002°
• Cell volume: 1526.14 ± 0.08 ų
• Cell temperature: 105.7 ± 0.5 K
• Ambient diffraction temperature: 105.7 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No