Information card for entry 2204585

Structure parameters

• Common name: 7-Oxogedunin
• Chemical name: 1-(3-furyl)-4b,7,7,10a,12a-pentamethyl-1,6a,7,10a,10b,11,12,12a- octahydronaphtho[2,1-f]oxireno[2,3-d]isochromene-3,5,8(3aH,4bH,6H)-trione
• Formula: C26 H30 O6
• Calculated formula: C26 H30 O6
• SMILES: O=C1C=C[C@]2([C@H](C1(C)C)CC(=O)[C@@]1([C@@H]2CC[C@@]2([C@]31O[C@@H]3C(=O)O[C@H]2c1ccoc1)C)C)C
• Title of publication: 7-Oxogedunin
• Authors of publication: Watcharee Waratchareeyakul; Suchada Chantrapromma; Hoong-Kun Fun; Ibrahim Abdul Razak; Chatchanok Karalai; Chanita Ponglimanont
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o1964 - o1966
• a: 7.6623 ± 0.0012 Å
• b: 11.1298 ± 0.0018 Å
• c: 13.35 ± 0.002 Å
• α: 90°
• β: 100.547 ± 0.003°
• γ: 90°
• Cell volume: 1119.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0551
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No