Information card for entry 2200839

Structure parameters

• Formula: C10 H14
• Calculated formula: C10 H14
• SMILES: CC(=C=CC=C=C(C)C)C
• Title of publication: 2,7-Dimethylocta-2,3,5,6-tetraene
• Authors of publication: Jones, Peter G.; Bubenitschek, Peter; Hopf, Henning; Stamm, Reiner
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: o277 - o278
• a: 4.644 ± 0.002 Å
• b: 16.278 ± 0.006 Å
• c: 6.037 ± 0.002 Å
• α: 90°
• β: 96.12 ± 0.03°
• γ: 90°
• Cell volume: 453.8 ± 0.3 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes