Information card for entry 7154919

Structure parameters

• Formula: C16 H27 N3 O6
• Calculated formula: C16 H27 N3 O6
• SMILES: O=C(OC(C)C)N(NC(=O)OC(C)C)/C(=C\C1CCCCC1)N(=O)=O
• Title of publication: Synthesis of hydrazinoheterocycles from Morita-Baylis-Hillman adducts of nitroalkenes with azodicarboxylates.
• Authors of publication: Mane, Vaijinath; Pandey, Jyoti; Ayyagari, Narasihmam; Dey, Chandan; Kale, Raju; Namboothiri, Irishi N. N.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 2427 - 2438
• a: 9.777 ± 0.005 Å
• b: 10.159 ± 0.005 Å
• c: 10.306 ± 0.005 Å
• α: 102.265 ± 0.007°
• β: 100.48 ± 0.006°
• γ: 90.508 ± 0.008°
• Cell volume: 982.4 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 0.733
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No