Information card for entry 7238583

Structure parameters

• Formula: C20 H15 N O S
• Calculated formula: C20 H15 N O S
• Title of publication: Differences in electron densities of phenoxazine and phenothiazine derivatives—charge density studies
• Authors of publication: Malińska, Maura; Nowacki, Jacek; Kapturkiewicz, Andrzej; Woźniak, Krzysztof
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 10
• Pages of publication: 4318
• a: 8.8508 ± 0.0001 Å
• b: 7.665 ± 0.0001 Å
• c: 22.6191 ± 0.0003 Å
• α: 90°
• β: 91.734 ± 0.001°
• γ: 90°
• Cell volume: 1533.81 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.039
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for all reflections included in the refinement: 0.03
• Goodness-of-fit parameter for all reflections included in the refinement: 1.345
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No