Information card for entry 1574954

Structure parameters

• Common name: <i>rac</i>-4,5-<i>trans</i>-Dibromo-9,9-dichloro-<i>cis</i>-bicyclo[6.1.0]nonane
• Chemical name: <i>rac</i>-4,5-<i>trans</i>-Dibromo-9,9-dichloro-<i>cis</i>-bicyclo[6.1.0]nonane
• Formula: C9 H12 Br2 Cl2
• Calculated formula: C9 H12 Br2 Cl2
• Title of publication: rac-4,5-trans-Dibromo-9,9-dichloro-cis-bicyclo[6.1.0]nonane
• Authors of publication: Detert, Heiner; Schollmeyer, Dieter
• Journal of publication: IUCrData
• Year of publication: 2025
• Journal volume: 10
• Journal issue: 6
• Pages of publication: x250573
• a: 7.2027 ± 0.0003 Å
• b: 22.1157 ± 0.001 Å
• c: 7.5534 ± 0.0003 Å
• α: 90°
• β: 105.517 ± 0.003°
• γ: 90°
• Cell volume: 1159.35 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No