Information card for entry 2232622

Structure parameters

• Chemical name: 10-Ethyl-10<i>H</i>-phenothiazine-3-carbaldehyde
• Formula: C15 H13 N O S
• Calculated formula: C15 H13 N O S
• SMILES: S1c2c(N(c3c1cc(C=O)cc3)CC)cccc2
• Title of publication: 10-Ethyl-10<i>H</i>-phenothiazine-3-carbaldehyde
• Authors of publication: Yu, Dao-Hui; Wang, Jian-Qing; Kong, Lin; Liu, Zhao-di
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3344
• a: 8.0867 ± 0.0001 Å
• b: 15.3271 ± 0.0003 Å
• c: 20.3369 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2520.67 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes