Information card for entry 2200616

Structure parameters

• Common name: γ-Terpinene
• Chemical name: 1-isopropyl-4-methyl-1,4-cyclohexadiene
• Formula: C10 H16
• Calculated formula: C10 H16
• SMILES: CC1=CCC(=CC1)C(C)C
• Title of publication: γ-Terpinene
• Authors of publication: Bond, Andrew D.; Davies, John E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: o1032 - o1033
• a: 18.1968 ± 0.0013 Å
• b: 7.2601 ± 0.0005 Å
• c: 6.7498 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 891.72 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 2
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes