Information card for entry 2200666

Structure parameters

• Common name: β-Pinene: Nopinene
• Chemical name: (1S)-(-)-β-Pinene
• Formula: C10 H16
• Calculated formula: C10 H16
• SMILES: [C@H]12C(=C)CC[C@H](C1(C)C)C2
• Title of publication: (1<i>S</i>)-(‒)-β-Pinene
• 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: o1041 - o1042
• a: 7.5079 ± 0.0003 Å
• b: 9.3361 ± 0.0008 Å
• c: 12.4875 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 875.31 ± 0.11 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 2
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes