Information card for entry 2225411

Structure parameters

• Common name: Carvedilol dihydrogen phosphate isopropanol solvate
• Chemical name: 3-(9<i>H</i>-carbazol-4-yloxy)-2-hydroxy-N-[2-(2- methoxyphenoxy)ethyl]propan-1-aminium dihydrogen phosphate propan-2-ol solvate
• Formula: C27 H37 N2 O9 P
• Calculated formula: C27 H37 N2 O9 P
• SMILES: C(C(COc1cccc2[nH]c3ccccc3c12)O)[NH2+]CCOc1c(cccc1)OC.P(=O)(O)([O-])O.OC(C)C
• Title of publication: Carvedilol dihydrogen phosphate propan-2-ol solvate from powder diffraction data
• Authors of publication: Chernyshev, Vladimir V.; Kukushkin, Sergei Yu.; Velikodny, Yurii A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o613
• a: 11.5516 ± 0.0011 Å
• b: 16.6523 ± 0.0019 Å
• c: 7.8643 ± 0.0008 Å
• α: 95.404 ± 0.015°
• β: 94.635 ± 0.016°
• γ: 71.247 ± 0.014°
• Cell volume: 1424.1 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Goodness-of-fit parameter for all reflections: 2.125
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54059 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No