Information card for entry 8104779

Structure parameters

• Chemical name: 10-(3,5-di(pyridin-4-yl)phenyl)-10H-phenoxazine
• Formula: C28 H23 N3 O3
• Calculated formula: C28 H23 N3 O3
• Title of publication: The crystal structure of 10-(3,5-di(pyridin-4-yl)phenyl)-10H-phenoxazine dihydrate, C28H23N3O3
• Authors of publication: Yang, Zhuqing; Hou, Meng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 3
• Pages of publication: 605 - 607
• a: 29.0466 ± 0.0011 Å
• b: 5.2448 ± 0.0003 Å
• c: 14.4825 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2206.32 ± 0.19 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No