Information card for entry 4023898

Structure parameters

• Formula: C17 H30 O3
• Calculated formula: C17 H30 O3
• SMILES: O(C1=CC[C@@]2(C[C@@H]([C@H]([C@]1([C@H]2O)C)C)C(O)(C)C)C)CC.O(C1=CC[C@]2(C[C@H]([C@@H]([C@@]1([C@@H]2O)C)C)C(O)(C)C)C)CC
• Title of publication: Construction of the Adamantane Core of Plukenetione-Type Polycyclic Polyprenylated Acylphloroglucinols
• Authors of publication: Ryukichi Takagi; Yuta Inoue; Katsuo Ohkata
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 9320 - 9325
• a: 27.904 ± 0.0006 Å
• b: 8.061 ± 0.0002 Å
• c: 15.339 ± 0.0004 Å
• α: 90°
• β: 103.948 ± 0.001°
• γ: 90°
• Cell volume: 3348.5 ± 0.1 ų
• Cell temperature: 273.2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.433
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No