Information card for entry 2209023

Structure parameters

• Chemical name: 3,8-Di-tert-butyl-2,2,9,9-tetramethyldeca-3,7-diene
• Formula: C22 H42
• Calculated formula: C22 H42
• SMILES: CC(C(=CCCC=C(C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C
• Title of publication: 3,8-Di-<i>tert</i>-butyl-2,2,9,9-tetramethyldeca-3,7-diene
• Authors of publication: Hänel, Ralf; Hopf, Henning; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o2095 - o2096
• a: 6.35 ± 0.004 Å
• b: 8.161 ± 0.004 Å
• c: 10.655 ± 0.006 Å
• α: 87.47 ± 0.04°
• β: 88.08 ± 0.04°
• γ: 67.63 ± 0.04°
• Cell volume: 510 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0952
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes