Information card for entry 2007737

Structure parameters

• Chemical name: Complex of (-)-Morphine with β-Phenylhydracrylic Acid
• Formula: C26 H29 N O6
• Calculated formula: C26 H29 N O6
• SMILES: [NH+]1([C@@H]2Cc3ccc(O)c4O[C@H]5[C@@H](O)C=C[C@@H]2[C@]5(c34)CC1)C.O=C([O-])C[C@H](O)c1ccccc1
• Title of publication: Complex of ({-})-Morphine with β-Phenylhydracrylic Acid
• Authors of publication: Lutz, Martin; Spek, Anthony L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1477 - 1479
• a: 6.6977 ± 0.0007 Å
• b: 7.9438 ± 0.0005 Å
• c: 10.81 ± 0.0013 Å
• α: 72.643 ± 0.008°
• β: 85.549 ± 0.009°
• γ: 88.011 ± 0.007°
• Cell volume: 547.26 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1096
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No