Information card for entry 1548932

Structure parameters

• Chemical name: 10-[1,1-Dichloro-4-(trimethylsilyl)but-1-en-3-yn-2-yl]-10<i>H</i>-phenothiazine
• Formula: C19 H17 Cl2 N S Si
• Calculated formula: C19 H17 Cl2 N S Si
• SMILES: ClC(=C(N1c2ccccc2Sc2ccccc12)C#C[Si](C)(C)C)Cl
• Title of publication: 10-[1,1-Dichloro-4-(trimethylsilyl)but-1-en-3-yn-2-yl]-10<i>H</i>-phenothiazine
• Authors of publication: Umezono, Satoru; Okuno, Tsunehisa
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 2
• Pages of publication: x180232
• a: 10.073 ± 0.003 Å
• b: 10.37 ± 0.003 Å
• c: 10.547 ± 0.003 Å
• α: 105.029 ± 0.002°
• β: 115.48 ± 0.005°
• γ: 90.3532 ± 0.0015°
• Cell volume: 951.7 ± 0.5 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes