Information card for entry 4023899

Structure parameters

• Formula: C15 H22 O3
• Calculated formula: C15 H21 O3
• SMILES: O=C1[C@@]2([C@H]([C@H]3C[C@](C(=O)[C@@H]1C3(C)C)([C@H]2O)C)C)C.O=C1[C@]2([C@@H]([C@@H]3C[C@@](C(=O)[C@H]1C3(C)C)([C@@H]2O)C)C)C
• 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: 8.345 ± 0.0004 Å
• b: 13.112 ± 0.0005 Å
• c: 14.223 ± 0.0006 Å
• α: 111.615 ± 0.003°
• β: 99.645 ± 0.002°
• γ: 102.506 ± 0.002°
• Cell volume: 1359.1 ± 0.1 ų
• Cell temperature: 571.2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.4156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.885
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No