Information card for entry 2218096

Structure parameters

• Chemical name: Pyromellitic acid‒sarcosine (1/2)
• Formula: C16 H20 N2 O12
• Calculated formula: C16 H20 N2 O12
• SMILES: C(=O)(c1c(C(=O)O)cc(C(=O)O)c(c1)C(=O)O)O.C(=O)(C[NH2+]C)[O-].C(=O)(C[NH2+]C)[O-]
• Title of publication: Pyromellitic acid‒sarcosine (1/2)
• Authors of publication: Domingos, Sérgio R.; Ramos Silva, Manuela; Martins, Nuno D.; Matos Beja, Ana; Paixão, J. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o826
• a: 8.8894 ± 0.0003 Å
• b: 5.4118 ± 0.0002 Å
• c: 20.2205 ± 0.0007 Å
• α: 90°
• β: 104.388 ± 0.002°
• γ: 90°
• Cell volume: 942.25 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes