Information card for entry 7238191

Structure parameters

• Formula: C14 H10 Cl N O2
• Calculated formula: C14 H10 Cl N O2
• Title of publication: Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene
• Authors of publication: Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 4101
• a: 3.9208 ± 0.0002 Å
• b: 12.9696 ± 0.0007 Å
• c: 12.2508 ± 0.0007 Å
• α: 90°
• β: 93.138 ± 0.002°
• γ: 90°
• Cell volume: 622.03 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1 (a,b,c-1/4)
• Hall space group symbol: P 2ybc
• Residual factor for all reflections: 0.1076
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No