Information card for entry 4514979

Structure parameters

• Formula: C7 H14 N2 O3
• Calculated formula: C7 H14 N2 O3
• SMILES: O=C(N)N[C@H](C(=O)O)CC(C)C
• Title of publication: Urea-Appended Amino Acid To Vitalize Yeast Growth, Enhance Fermentation, and Promote Ethanol Production.
• Authors of publication: Sasmal, Supriya; Roy Chowdhury, Srayoshi; Podder, Debasish; Haldar, Debasish
• Journal of publication: ACS omega
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 8
• Pages of publication: 13172 - 13179
• a: 5.2432 ± 0.0009 Å
• b: 10.3449 ± 0.0019 Å
• c: 17.386 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 943 ± 0.3 ų
• Cell temperature: 198 ± 140 K
• Ambient diffraction temperature: 198 ± 140 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1787
• Weighted residual factors for all reflections included in the refinement: 0.1915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No