Information card for entry 4032873

Structure parameters

• Formula: C12 H25 N3 O3
• Calculated formula: C12 H25 N3 O3
• SMILES: O(C(C)(C)C)C(=O)NN(CC(C)C)[C@H](C)C(=O)N
• Title of publication: Self-Organization Ability of Chiral N(α)-Substituted, N(β)-Boc Protected α-Hydrazinoacetamides in the Crystal and Solution States.
• Authors of publication: Moussodia, Ralph-Olivier; Romero, Eugénie; Wenger, Emmanuel; Jamart-Grégoire, Brigitte; Acherar, Samir
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 19
• Pages of publication: 9937 - 9945
• a: 10.5287 ± 0.0004 Å
• b: 9.9246 ± 0.0004 Å
• c: 14.8794 ± 0.0006 Å
• α: 90°
• β: 104.141 ± 0.002°
• γ: 90°
• Cell volume: 1507.68 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0526
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No