Information card for entry 8101461

Structure parameters

• Formula: C28 H28 N2 O4
• Calculated formula: C28 H28 N2 O4
• SMILES: O=C1C([O-])=C([O-])C1=O.[NH3+][C@H](c1cccc2ccccc12)C.[NH3+][C@H](c1cccc2ccccc12)C
• Title of publication: Crystal structure of bis[R-(+)-1-(1-naphthyl)ethylammonium]squarate, [C12H14N]2C4O4
• Authors of publication: Kolev, Tsonko; Glavcheva, Zornitza; Schürmann, Markus; Preut, Hans; Bleckmann, Paul; Radomirska, Valentina
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 2
• Pages of publication: 187 - 188
• a: 12.373 ± 0.002 Å
• b: 7.367 ± 0.002 Å
• c: 14.1 ± 0.003 Å
• α: 90°
• β: 109.26 ± 0.02°
• γ: 90°
• Cell volume: 1213.3 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1055
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No