Information card for entry 2200617

Structure parameters

• Common name: (1R)-(-)-Fenchone
• Chemical name: (-)-1,3,3-trimethyl-2-norbornanone
• Formula: C10 H16 O
• Calculated formula: C10 H16 O
• SMILES: O=C1[C@@]2(CC[C@H](C1(C)C)C2)C
• Title of publication: (1<i>R</i>)-({-})-Fenchone
• 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: o1034 - o1035
• a: 6.052 ± 0.0007 Å
• b: 10.2748 ± 0.0007 Å
• c: 7.1621 ± 0.0009 Å
• α: 90°
• β: 91.335 ± 0.004°
• γ: 90°
• Cell volume: 445.24 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.1565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes