Information card for entry 2213772

Structure parameters

• Chemical name: Dexamethasone
• Formula: C22 H29 F O5
• Calculated formula: C22 H29 F O5
• SMILES: F[C@]12[C@H](C[C@@]3([C@](O)([C@@H](C[C@H]3[C@@H]1CCC1=CC(=O)C=C[C@]21C)C)C(=O)CO)C)O
• Title of publication: Dexamethasone at 119 K
• Authors of publication: John W. Raynor; Wladek Minor; Maksymilian Chruszcz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2791 - o2793
• a: 10.364 ± 0.001 Å
• b: 16.157 ± 0.001 Å
• c: 23.206 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3885.9 ± 0.5 ų
• Cell temperature: 119 ± 2 K
• Ambient diffraction temperature: 119 ± 2 K
• Number of distinct elements: 4
• 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: 0.0471
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes