Information card for entry 2214794

Structure parameters

• Common name: 6α-Acetoxyepoxyazadiradione
• Chemical name: (8S*,10R*)-17-(3-furyl)-4,4,8,10,13-pentamethyl-3,16-dioxo-6,7,9,11,12,17- hexahydro-14,15-epoxy-5H-cyclopenta[a]phenanthrene-6α,7α-diyl diacetate
• Formula: C30 H36 O8
• Calculated formula: C30 H36 O8
• SMILES: O=C1C=C[C@]2([C@H](C1(C)C)[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@@]1([C@@H]2CC[C@@]2([C@]31O[C@@H]3C(=O)[C@H]2c1ccoc1)C)C)C
• Title of publication: 6α-Acetoxyepoxyazadiradione
• Authors of publication: Wisanu Maneerat; Hoong-Kun Fun; Taweesak Buatip; Surat Laphookhieo; Suchada Chantrapromma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3583 - o3584
• a: 12.189 ± 0.003 Å
• b: 29.983 ± 0.005 Å
• c: 7.3372 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2681.5 ± 0.9 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes