Information card for entry 2220158

Structure parameters

• Chemical name: 10-(2-methyl-4-phenyl-1<i>H</i>-inden-6-yl)-10<i>H</i>-phenothiazine‒10-(2-methyl-7-phenyl-1<i>H</i>-inden-5-yl)-10<i>H</i>-phenothiazine (0.54/0.46)
• Formula: C28 H21 N S
• Calculated formula: C28 H21 N S
• SMILES: CC1=Cc2c(C1)cc(cc2c1ccccc1)N1c2ccccc2Sc2c1cccc2
• Title of publication: The cocrystal 10-(2-methyl-4-phenyl-1<i>H</i>-inden-6-yl)-10<i>H</i>-phenothiazine‒10-(2-methyl-7-phenyl-1<i>H</i>-inden-5-yl)-10<i>H</i>-phenothiazine (0.54/0.46)
• Authors of publication: Nikulin, Mikhail V.; Voskoboynikov, Alexander Z.; Suponitsky, Kyrill Yu.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2317
• a: 12.648 ± 0.0006 Å
• b: 12.6654 ± 0.0006 Å
• c: 14.697 ± 0.0007 Å
• α: 77.492 ± 0.001°
• β: 64.807 ± 0.001°
• γ: 82.969 ± 0.001°
• Cell volume: 2078.61 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes