Information card for entry 2229286

Structure parameters

• Common name: Triamcinolone acetonide acetate
• Chemical name: 2-(4b-Fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo- 2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-7,9-dioxa- pentaleno[2,1-<i>a</i>]phenanthren-6b-yl)-2-oxoethyl acetate
• Formula: C26 H33 F O7
• Calculated formula: C26 H33 F O7
• SMILES: F[C@]12[C@@H](CCC3=CC(=O)C=C[C@]13C)[C@H]1[C@@](C[C@@H]2O)(C)[C@@]2(OC(O[C@@H]2C1)(C)C)C(=O)COC(=O)C
• Title of publication: Triamcinolone acetonide acetate
• Authors of publication: Lu, Xiao; Tang, Gu-Ping; Gu, Jian-Ming; Hu, Xiu-Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o360
• a: 7.546 ± 0.0007 Å
• b: 14.8102 ± 0.0004 Å
• c: 11.5773 ± 0.0003 Å
• α: 90°
• β: 109.905 ± 0.001°
• γ: 90°
• Cell volume: 1216.56 ± 0.12 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes