Information card for entry 1559210

Structure parameters

• Chemical name: 10-Phenyl-10<i>H</i>-phenoxazine-4,6-diol tetrahydrofuran monosolvate
• Formula: C22 H21 N O4
• Calculated formula: C22 H21 N O4
• Title of publication: 10-Phenyl-10<i>H</i>-phenoxazine-4,6-diol tetrahydrofuran monosolvate
• Authors of publication: Whalen, Aislinn C.; Hernandez Brito, Claudia; Choi, Kyoung H.; Warner, Ellen J. T.; Thole, David A.; Gau, Michael R.; Carroll, Patrick J.; Anstey, Mitchell R.
• Journal of publication: IUCrData
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 9
• Pages of publication: x201276
• a: 8.2694 ± 0.0003 Å
• b: 21.1783 ± 0.0008 Å
• c: 10.705 ± 0.0004 Å
• α: 90°
• β: 111.117 ± 0.001°
• γ: 90°
• Cell volume: 1748.89 ± 0.11 ų
• Cell temperature: 99.99 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes