Information card for entry 1559513

Structure parameters

• Common name: 6,6-dimethy1-3-oxa-4-azatricyclo[5.2.1.0(1.5)]dec-4-ene
• Formula: C10 H15 N O
• Calculated formula: C10 N O
• SMILES: O1N=C2[C@]3(CC[C@@H](C2(C)C)C3)C1
• Title of publication: X-Ray Diffraction Study on (+)-1,3,3-Trimethylbicyclo[2.2.1]heptan-2-one {(+)-Fenchone} (Z)-Oxime, Two Monochloro Derivatives and a Dehydrohalogenation Product
• Authors of publication: Rissanen, Kari; Laihia, Katri; Korvola, Jorma; Kolehmainen, Erkki
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1991
• Journal volume: 45
• Pages of publication: 751 - 757
• a: 6.152 ± 0.004 Å
• b: 10.278 ± 0.008 Å
• c: 7.764 ± 0.007 Å
• α: 90°
• β: 111.73 ± 0.11°
• γ: 90°
• Cell volume: 456 ± 0.7 ų
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• 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: 0.041
• Weighted residual factors for significantly intense reflections: 0.034
• Goodness-of-fit parameter for all reflections included in the refinement: 0.31
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No