Information card for entry 1547204

Structure parameters

• Formula: C20 H35 O4
• Calculated formula: C20 H35 O4
• SMILES: O[C@@H]1C[C@]2([C@H](C[C@H]1O)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@]2(O)C)C)C.O
• Title of publication: Synthesis of some potent immunomodulatory and anti-inflammatory metabolites by fungal transformation of anabolic steroid oxymetholone
• Authors of publication: Naik Tameen Khan; Marium Bibi; Sammer Yousuf; Izhar Husain Qureshi; Atta-ur-Rahman; Abdullah Mohammad Al-Majid; Muhammad Ahmed Mesaik; Ahmed Shukralla Khalid; Samina A Sattar; Atia-tul-Wahab; M Iqbal Choudhary
• Journal of publication: Chemistry Central Journal
• Year of publication: 2012
• Journal volume: 6
• Pages of publication: 153
• a: 11.5169 ± 0.0019 Å
• b: 6.7843 ± 0.0012 Å
• c: 12.82 ± 0.002 Å
• α: 90°
• β: 109.27 ± 0.004°
• γ: 90°
• Cell volume: 945.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0791
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No