Information card for entry 2211623

Structure parameters

• Common name: Tagalsin F
• Chemical name: 7-Ethenyl-1-[(Z)-hydroxymethylidene]-4b,7,10a-trimethylperhydrophenanthren-2-one
• Formula: C20 H30 O2
• Calculated formula: C20 H30 O2
• SMILES: O/C=C1C(=O)CC[C@H]2[C@@]\1(CC[C@@H]1[C@@]2(CC[C@@](C1)(C=C)C)C)C
• Title of publication: 7-Ethenyl-1-[(<i>Z</i>)-hydroxymethylidene]-4b,7,10a-trimethylperhydrophenanthren-2-one
• Authors of publication: Hoong-Kun Fun; Charoen Pakathirathien; Suchada Chantrapromma; Chatchanok Karalai; Kan Chantrapromma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5539 - o5541
• a: 6.6826 ± 0.0002 Å
• b: 10.81 ± 0.0003 Å
• c: 23.8901 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1725.79 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes