Information card for entry 2242218

Structure parameters

• Chemical name: 10-Ethyl-7-(9-ethyl-9<i>H</i>-carbazol-3-yl)-10<i>H</i>-phenothiazine-3-carbaldehyde
• Formula: C29 H24 N2 O S
• Calculated formula: C29 H24 N2 O S
• SMILES: S1c2c(N(c3ccc(c4cc5c6c(n(c5cc4)CC)cccc6)cc13)CC)ccc(c2)C=O
• Title of publication: Crystal structure of 10-ethyl-7-(9-ethyl-9<i>H</i>-carbazol-3-yl)-10<i>H</i>-phenothiazine-3-carbaldehyde
• Authors of publication: Mahalakshmi, Vairavan; Gouthaman, Siddan; Sugunalakshmi, Madurai; Bargavi, Srinivasan; Lakshmi, Srinivasakannan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 5
• Pages of publication: 726 - 728
• a: 9.4677 ± 0.0006 Å
• b: 25.7169 ± 0.0013 Å
• c: 9.5704 ± 0.0005 Å
• α: 90°
• β: 103.681 ± 0.002°
• γ: 90°
• Cell volume: 2264.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0623
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes