Information card for entry 1519251

Structure parameters

• Formula: C19 H14 Cl N2 P S Se
• Calculated formula: C19 H14 Cl N2 P S Se
• SMILES: [Se]=P(N=C1Sc2cc(Cl)ccc2N1)(c1ccccc1)c1ccccc1
• Title of publication: C19H14ClN2PSSe
• Authors of publication: Smith, Martin B.; Light, Mark E.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2000
• Pages of publication: 721
• a: 16.4884 ± 0.0002 Å
• b: 10.8238 ± 0.0002 Å
• c: 10.8189 ± 0.0003 Å
• α: 90°
• β: 108.896 ± 0.001°
• γ: 90°
• Cell volume: 1826.76 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No