Information card for entry 7114576

Structure parameters

• Common name: codeine hydrogen dihydrogen phosphate hemihydrate
• Chemical name: (5α,6α)-6-hydroxy-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinanium dihydrogen phosphate sesquihydrate
• Formula: C18 H27 N O8.5 P
• Calculated formula: C18 H24 N O8.5 P
• Title of publication: On the hydrates of codeine phosphate: the remarkable influence of hydrogen bonding on the crystal size
• Authors of publication: Tomce Runcevski; Gjorgji Petrusevski; Petre Makreski; Sonja Ugarkovic; Robert E. Dinnebier
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 6970
• a: 33.4761 ± 0.0007 Å
• b: 16.0612 ± 0.0003 Å
• c: 7.1921 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3866.95 ± 0.15 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 3.524
• Goodness-of-fit parameter for all reflections: 2.251
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No