Information card for entry 2213781

Structure parameters

• Chemical name: meso-1,2-Diphenylethylenediammonium bis(hydrogen squarate)
• Formula: C22 H20 N2 O8
• Calculated formula: C22 H20 N2 O8
• SMILES: [NH3+][C@H](c1ccccc1)[C@@H]([NH3+])c1ccccc1.C1(=O)C(=O)C([O-])=C1O.C1(=O)C(=O)C([O-])=C1O
• Title of publication: <i>meso</i>-1,2-Diphenylethylenediammonium bis(hydrogen squarate)
• Authors of publication: Ramasubramanian, R.; Kumaresan, S.; Sridhar, B.; David Stephen, A.; Kumaradhas, P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o3034 - o3035
• a: 6.3817 ± 0.0006 Å
• b: 7.3925 ± 0.0007 Å
• c: 11.5034 ± 0.0011 Å
• α: 86.765 ± 0.002°
• β: 80.552 ± 0.002°
• γ: 68.42 ± 0.001°
• Cell volume: 497.8 ± 0.08 ų
• Cell temperature: 296 ± 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 significantly intense reflections: 0.0418
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes