Information card for entry 7231686

Structure parameters

• Common name: sarcosine peroxosolvate
• Chemical name: N-methylglycine peroxosolvate
• Formula: C3 H9 N O4
• Calculated formula: C3 H9 N O4
• Title of publication: Crystal structures of non-proteinogenic amino acid peroxosolvates: rare example of H-bonded hydrogen peroxide chains
• Authors of publication: Navasardyan, Mger A.; Grishanov, Dmitry A.; Tripol'skaya, Tatiana A.; Kuz'mina, Lyudmila G.; Prikhodchenko, Petr V.; Churakov, Andrei V.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 46
• Pages of publication: 7413
• a: 13.1669 ± 0.0007 Å
• b: 6.3974 ± 0.0004 Å
• c: 10.7817 ± 0.0006 Å
• α: 90°
• β: 90.605 ± 0.001°
• γ: 90°
• Cell volume: 908.13 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No