Information card for entry 4032872

Structure parameters

• Formula: C15 H23 N3 O3
• Calculated formula: C15 H23 N3 O3
• SMILES: O=C(N)[C@H](N(NC(=O)OC(C)(C)C)Cc1ccccc1)C
• 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: 5.14336 ± 0.00016 Å
• b: 16.7956 ± 0.0005 Å
• c: 18.7002 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1615.43 ± 0.09 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 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: 0.0393
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No