Information card for entry 1517485

Structure parameters

• Chemical name: (2R*,3aR*,4'S*,5'S*,6aS*,E)-4'-hydroxy-5'-((R*)-3-hydroxybutyl)- 4-((R*)-5-methyldihydrofuran-2(3H)-ylidene)hexahydro- 3'H-spiro[cyclopenta[b]furan-2,2'-furan]-5(3H)-one
• Formula: C19 H28 O6
• Calculated formula: C19 H28 O6
• SMILES: C[C@@H](O)CC[C@@H]1O[C@@]2(O[C@H]3CC(=O)C(=C4\O[C@H](C)CC4)\[C@H]3C2)C[C@@H]1O
• Title of publication: Opaliferin, a New Polyketide from Cultures of Entomopathogenic Fungus Cordyceps sp. NBRC 106954.
• Authors of publication: Grudniewska, Aleksandra; Hayashi, Sayaka; Shimizu, Mina; Kato, Masayuki; Suenaga, Midori; Imagawa, Hiroshi; Ito, Takuya; Asakawa, Yoshinori; Ban, Sayaka; Kumada, Toshio; Hashimoto, Toshihiro; Umeyama, Akemi
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 18
• Pages of publication: 4695 - 4697
• a: 5.5715 ± 0.0011 Å
• b: 8.068 ± 0.0016 Å
• c: 20.262 ± 0.004 Å
• α: 90°
• β: 92.513 ± 0.002°
• γ: 90°
• Cell volume: 909.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.263
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No