Information card for entry 2227919

Structure parameters

• Chemical name: 7-[2-(3-Furyl)ethyl]-7,8-dimethyl-3,5,6,6a,7,8,9,10-octahydro-1<i>H</i>- naphtho[1,8a-<i>c</i>]furan-3-one
• Formula: C20 H26 O3
• Calculated formula: C20 H26 O3
• SMILES: c1occc1CC[C@@]1(C)[C@H](C)CC[C@]23[C@@H]1CCC=C2C(=O)OC3
• Title of publication: 7-[2-(3-Furyl)ethyl]-7,8-dimethyl-3,5,6,6a,7,8,9,10-octahydro-1<i>H</i>-naphtho[1,8a-<i>c</i>]furan-3-one
• Authors of publication: Mohammad, Akhtar; Shah, Muhammad Raza; Anis, Itrat; McKee, Vickie; Frese, Josef W. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2529
• a: 9.1343 ± 0.0008 Å
• b: 11.8752 ± 0.001 Å
• c: 15.5255 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1684.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.041
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes