Information card for entry 1504578

Structure parameters

• Formula: C18 H26 O4
• Calculated formula: C18 H26 O4
• SMILES: O1C[C@]23[C@@]45[C@@H](C[C@H](O)[C@]2(C)CCC3)C[C@@H]([C@@]14OC)C=C[C@H]5O.O1C[C@@]23[C@]45[C@H](C[C@@H](O)[C@@]2(C)CCC3)C[C@H]([C@]14OC)C=C[C@@H]5O
• Title of publication: An approach to the core skeleton of lancifodilactone F.
• Authors of publication: Wang, Qiaoling; Chen, Chuo
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 1223 - 1226
• a: 7.321 ± 0.005 Å
• b: 13.267 ± 0.005 Å
• c: 16.259 ± 0.005 Å
• α: 90 ± 0.005°
• β: 100.517 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1552.7 ± 1.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No