Information card for entry 2217180

Structure parameters

• Chemical name: 1-Bromo-2,4,6-tricyclohexylbenzene
• Formula: C24 H35 Br
• Calculated formula: C24 H35 Br
• SMILES: Brc1c(cc(cc1C1CCCCC1)C1CCCCC1)C1CCCCC1
• Title of publication: 1-Bromo-2,4,6-tricyclohexylbenzene
• Authors of publication: Mague, Joel T.; Linhardt, Lisa; Medina, Iliana; Fink, Mark J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o335 - o335
• a: 15.51 ± 0.001 Å
• b: 11.6718 ± 0.0008 Å
• c: 11.3431 ± 0.0008 Å
• α: 90°
• β: 99.912 ± 0.001°
• γ: 90°
• Cell volume: 2022.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0489
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes