Information card for entry 7229344

Structure parameters

• Chemical name: Bis(4-bromophenyl)fumaronitrile
• Formula: C16 H8 Br2 N2
• Calculated formula: C16 H8 Br2 N2
• Title of publication: Polymorphism in crystals of bis(4-bromophenyl)fumaronitrile through vapour phase growth
• Authors of publication: Jensen, Torsten T.; Potticary, Jason; Terry, Lui R.; Bruce Macdonald, Hannah E.; Brandenburg, Jan Gerit; Hall, Simon R.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 3.8726 ± 0.0001 Å
• b: 10.7671 ± 0.0004 Å
• c: 16.5188 ± 0.0006 Å
• α: 90.217 ± 0.003°
• β: 93.186 ± 0.003°
• γ: 98.738 ± 0.002°
• Cell volume: 679.68 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No