Information card for entry 2011052

Structure parameters

• Common name: Dysobinin
• Chemical name: 6β-acetoxyazadirone
• Formula: C30 H38 O6
• Calculated formula: C30 H38 O6
• SMILES: C1=CC(=O)C([C@@H]2[C@H]([C@H]([C@@]3([C@@H]([C@@]12C)CC[C@@]1(C3=CC[C@H]1c1cocc1)C)C)OC(=O)C)OC(=O)C)(C)C
• Title of publication: Dysobinin, a tetranortriterpenoid
• Authors of publication: Sarkhel, Sanjay; Jain, Girish K.; Singh, Satywan; Subramanya, Hosahalli. S.; Maulik, Prakas R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 6
• Pages of publication: e253 - e254
• a: 12.426 ± 0.003 Å
• b: 29.446 ± 0.01 Å
• c: 7.45 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2726 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.094
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes