Information card for entry 1519263

Structure parameters

• Formula: C19 H14 Cl N2 P S
• Calculated formula: C19 H14 Cl N2 P S
• SMILES: Clc1ccc2nc(sc2c1)NP(c1ccccc1)c1ccccc1
• Title of publication: C19H14ClN2PS
• Authors of publication: Smith, Martin B.; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2000
• Pages of publication: 1027
• a: 10.223 ± 0.002 Å
• b: 17.348 ± 0.004 Å
• c: 19.475 ± 0.004 Å
• α: 90°
• β: 94.73 ± 0.03°
• γ: 90°
• Cell volume: 3442.1 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No