Information card for entry 2008778

Structure parameters

• Chemical name: DM08
• Formula: C15 H22 O3
• Calculated formula: C15 H22 O3
• SMILES: [C@@H]1([C@@]2(CC[C@H]([C@H]1[C@H](c1ccco1)O)C2(C)C)C)O
• Title of publication: (1<i>R</i>,2<i>R</i>,3<i>R</i>,3'<i>R</i>,4<i>R</i>)-3-[(2-Furyl)hydroxymethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol, a new camphor-based chiral auxiliary
• Authors of publication: Branco, Marcelo Cardoso; Gambardella, Maria Teresa do P.; Vasconcellos, Mario L. A. A.; Barreiros, Uendel G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 1295 - 1297
• a: 7.581 ± 0.001 Å
• b: 8.663 ± 0.001 Å
• c: 11.475 ± 0.001 Å
• α: 90°
• β: 106.44 ± 0.01°
• γ: 90°
• Cell volume: 722.8 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.11
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections: 0.122
• Weighted residual factors for significantly intense reflections: 0.11
• Goodness-of-fit parameter for all reflections: 0.905
• Goodness-of-fit parameter for significantly intense reflections: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No