Information card for entry 4505041

Structure parameters

• Common name: remacemide xinafoate
• Chemical name: 2-Amino-N-(1-methyl-1,12-diphenylethyl)-acetamide 1-hydroxynaphthalene-2-carboxylate
• Formula: C28 H28 N2 O4
• Calculated formula: C28 H28 N2 O4
• SMILES: O=C(NC(C)(c1ccccc1)Cc1ccccc1)C[NH3+].Oc1c(ccc2c1cccc2)C(=O)[O-]
• Title of publication: Hydrophobic vs. Hydrophilic: Ionic Competition in Remacemide Salt Structures
• Authors of publication: Lewis, Gareth R.; Steele, Gerry; McBride, Lorraine; Florence, Alastair J.; Kennedy, Alan R.; Shankland, Norman; David, William I. F.; Shankland, Kenneth; Teat, Simon J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 2
• Pages of publication: 427
• a: 11.9187 ± 0.001 Å
• b: 31.801 ± 0.003 Å
• c: 7.9304 ± 0.0007 Å
• α: 90°
• β: 128.382 ± 0.002°
• γ: 90°
• Cell volume: 2356.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.6892 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No