Information card for entry 7201805

Structure parameters

• Common name: phenylethylamine succinate-succinic acid
• Formula: C24 H34 N2 O8
• Calculated formula: C24 H34 N2 O8
• SMILES: [NH3+]CCc1ccccc1.[NH3+]CCc1ccccc1.[O-]C(=O)CCC(=O)[O-].OC(=O)CCC(=O)O
• Title of publication: Hydrogen bonding networks in ammonium carboxylate salts : the crystal structures of phenylethylammonium fumarate-fumaric acid, phenylethylammonium succinate-succinic acid and anilinium fumarate-fumaric acid
• Authors of publication: Haynes, Delia A.; Pietersen, Lauren K.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 518
• a: 9.3231 ± 0.0003 Å
• b: 10.8304 ± 0.0004 Å
• c: 12.703 ± 0.0005 Å
• α: 80.931 ± 0.003°
• β: 86.268 ± 0.003°
• γ: 88.868 ± 0.003°
• Cell volume: 1263.88 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No