Information card for entry 2005375

Structure parameters

• Chemical name: 2-(6-Methoxy-7-methyl-1,2,3,4-tetrahydro-naphthalene-1-yl)ethyl 4,7,7-trimethyl-3-oxo-2-oxa-bicyclo[2.2.1]heptane-1-carboxylate
• Formula: C24 H32 O5
• Calculated formula: C24 H32 O5
• SMILES: O(C(=O)[C@]12OC(=O)[C@](CC1)(C2(C)C)C)CC[C@H]1CCCc2cc(OC)c(cc12)C
• Title of publication: 2-(6-Methoxy-7-methyl-1,2,3,4-tetrahydro-1-naphthyl)ethyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
• Authors of publication: Noltemeyer, M.; Raschke, T.; Tietze, L. F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2256 - 2258
• a: 6.419 ± 0.001 Å
• b: 13.34 ± 0.002 Å
• c: 24.701 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2115.1 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.0776
• Goodness-of-fit parameter for all reflections: 1.066
• Goodness-of-fit parameter for significantly intense reflections: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No