Information card for entry 2010303

Structure parameters

• Formula: C11 H16 O2
• Calculated formula: C11 H16 O2
• SMILES: OC(=O)[C@@]12CC[C@@H](C1)C(C2=C)(C)C
• Title of publication: Camphene-1-carboxylic acid: stereochemistry of the Nametkin shift
• Authors of publication: Cameron, T.S.; Jochem, K.; Morris, D.G.; Maguire, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 2085 - 2087
• a: 6.193 ± 0.002 Å
• b: 10.609 ± 0.002 Å
• c: 15.492 ± 0.004 Å
• α: 90°
• β: 86.42 ± 0.02°
• γ: 90°
• Cell volume: 1015.9 ± 0.5 ų
• Cell temperature: 291 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 significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0429
• Goodness-of-fit parameter for significantly intense reflections: 0.241
• Diffraction radiation wavelength: 0.70926 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No