Information card for entry 7211841

Structure parameters

• Formula: C12 H8 I N O2
• Calculated formula: C12 H8 I N O2
• Title of publication: Polymorphism, polar morphology and absolute structure determination of 4-iodo-4′-nitrobiphenyl (INBP)
• Authors of publication: Labat, Gaël; Behrnd, Norwid-Rasmus; Couderc, Gaëtan; Bonin, Michel; Tsuwi, Julius; Batagiannis, Athanasios; Berger, Ricarda; Bertoni, Mariana; Prodi-Schwab, Anna; Hulliger, Jürg
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 1252
• a: 10.405 ± 0.003 Å
• b: 14.441 ± 0.005 Å
• c: 8.194 ± 0.002 Å
• α: 90°
• β: 112.074 ± 0.018°
• γ: 90°
• Cell volume: 1141 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No