Information card for entry 2021867

Structure parameters

• Formula: C18 H14 Cl N S
• Calculated formula: C18 H14 Cl N S
• Title of publication: (E)-3-(4-Chlorophenyl)-3-cyclopropyl-2-(phenylthio)acrylonitrile
• Authors of publication: Roche, D.; Métin, J.; Madesclaire, M.
• Journal of publication: Acta Crystallographica Section C Crystal Structure Communications
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 3104
• a: 5.739 ± 0.001 Å
• b: 7.621 ± 0.002 Å
• c: 36.561 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1599.1 ± 0.5 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.049
• Goodness-of-fit parameter for significantly intense reflections: 1.34
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No