Information card for entry 2101879

Structure parameters

• Formula: C10 H14 O
• Calculated formula: C10 H14 O
• SMILES: CC(=C)[C@@H]1CC=C(C(=O)C1)C
• Title of publication: Chiral Molecular Alloys: Patterson-Search Structure Determination of <small>L</small>-Carvone and <small>DL</small>-Carvone from X-ray Powder Diffraction Data at 218 K
• Authors of publication: Sañé, J.; Ruis, J.; Calvet, T.; Cuevas-Diarte, M. A.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 702 - 707
• a: 6.8576 ± 0.0003 Å
• b: 6.8831 ± 0.0005 Å
• c: 19.988 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 943.5 ± 0.1 ų
• Ambient diffraction temperature: 218 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Diffraction radiation wavelength: 1.54051 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No