Information card for entry 2007854

Structure parameters

• Chemical name: E-2,5-Bis(dimethyl)-3,4-diisopropyl-hexa-3-ene
• Formula: C16 H32
• Calculated formula: C16 H32
• SMILES: CC(C(C(C(C)(C)C)C(C)C)C(C)C)(C)C
• Title of publication: (<i>E</i>)-3,4-Diisopropyl-2,5-dimethylhex-3-ene at 125K
• Authors of publication: Boese, Roland; Roth, Wolfgang R.; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 11
• Pages of publication: IUC9800055
• a: 6.4252 ± 0.0009 Å
• b: 8.6755 ± 0.0014 Å
• c: 14.856 ± 0.003 Å
• α: 73.359 ± 0.013°
• β: 83.302 ± 0.013°
• γ: 74.22 ± 0.012°
• Cell volume: 762.8 ± 0.2 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No