Information card for entry 2004374

Structure parameters

• Chemical name: 3-O-Acetyl-7,8-dihydromorphine-6-O-sulfate
• Formula: C19 H23 N O7 S
• Calculated formula: C19 H23 N O7 S
• Title of publication: A Dihydromorphine-6-<i>O</i>-sulfate
• Authors of publication: Brock, C. P.; Kottayil, S.; Butterfield, D. A.; Crooks, P. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 122 - 125
• a: 9.302 ± 0.0008 Å
• b: 14.08 ± 0.001 Å
• c: 14.1587 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1854.4 ± 0.3 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 5
• 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: 0.1287
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for all reflections: 0.1224
• Weighted residual factors for significantly intense reflections: 0.0994
• Goodness-of-fit parameter for all reflections: 1.007
• Goodness-of-fit parameter for significantly intense reflections: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No