Information card for entry 2224010

Structure parameters

• Common name: Trichodermol
• Chemical name: 4α-hydroxy-12,13-epoxytrichothec-9-ene
• Formula: C15 H22 O3
• Calculated formula: C15 H22 O3
• SMILES: O1[C@H]2C=C(CC[C@]2([C@@]2([C@H](O)C[C@H]1[C@]12OC1)C)C)C
• Title of publication: Trichodermol (4α-hydroxy-12,13-epoxytrichothec-9-ene)
• Authors of publication: Cheng, Jing-Li; Zhou, Yong; Lin, Fu-Cheng; Zhao, Jin-Hao; Zhu, Guo-Nian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2879
• a: 6.8284 ± 0.0002 Å
• b: 6.6209 ± 0.0003 Å
• c: 14.717 ± 0.0006 Å
• α: 90°
• β: 96.7507 ± 0.0011°
• γ: 90°
• Cell volume: 660.74 ± 0.04 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 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 significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes