Information card for entry 2201196

Structure parameters

• Common name: Sarcosinium maleate
• Chemical name: `N-methyl-α-aminoetnol maleate'
• Formula: C7 H11 N O6
• Calculated formula: C7 H11 N O6
• SMILES: OC(=O)C[NH2+]C.O=C([O-])/C=C/C(=O)O
• Title of publication: Sarcosinium maleate at 123K
• Authors of publication: Rajagopal, K.; Subha Nandhini, M.; Krishnakumar, R. V.; Mostad, A.; Natarajan, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: o478 - o480
• a: 22.784 ± 0.005 Å
• b: 5.9117 ± 0.0012 Å
• c: 13.788 ± 0.003 Å
• α: 90°
• β: 96.69 ± 0.03°
• γ: 90°
• Cell volume: 1844.5 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes