Information card for entry 4511617

Structure parameters

• Formula: C4 H7 N O3
• Calculated formula: C4 H7 N O3
• SMILES: C(=O)(CCC(=O)N)O
• Title of publication: Comprehending the Formation of Eutectics and Cocrystals in Terms of Design and Their Structural Interrelationships
• Authors of publication: Cherukuvada, Suryanarayan; Guru Row, Tayur N.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 4187
• a: 5.6612 ± 0.0003 Å
• b: 5.1428 ± 0.0003 Å
• c: 9.5438 ± 0.0005 Å
• α: 90°
• β: 93.246 ± 0.005°
• γ: 90°
• Cell volume: 277.42 ± 0.03 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 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: 0.0238
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0678
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No