Information card for entry 2220195

Structure parameters

• Chemical name: 10-Hexyl-10<i>H</i>-phenothiazine-3-carbaldehyde
• Formula: C19 H21 N O S
• Calculated formula: C19 H21 N O S
• SMILES: c1(cc2c(cc1)N(c1c(cccc1)S2)CCCCCC)C=O
• Title of publication: 10-Hexyl-10<i>H</i>-phenothiazine-3-carbaldehyde
• Authors of publication: Wang, Hongli; Xu, Wenyuan; Zhang, Bin; Xiao, Wenjing; Wu, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2458
• a: 8.4073 ± 0.0009 Å
• b: 13.7719 ± 0.0015 Å
• c: 14.6485 ± 0.0015 Å
• α: 93.957 ± 0.002°
• β: 98.781 ± 0.002°
• γ: 90.983 ± 0.002°
• Cell volume: 1671.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.1239
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.1822
• Weighted residual factors for all reflections included in the refinement: 0.2101
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes