Information card for entry 4083180

Structure parameters

• Formula: C12 H28 N4 O2
• Calculated formula: C12 H28 N4 O2
• SMILES: O(O)C(N=NC(C)C)(C)C.N(=C(C)C)NC(C)C
• Title of publication: Reactions of Grignard Reagents with Nitrous Oxide
• Authors of publication: Tskhovrebov, Alexander G.; Solari, Euro; Scopelliti, Rosario; Severin, Kay
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 10
• Pages of publication: 2405
• a: 8.3803 ± 0.0006 Å
• b: 10.3708 ± 0.0006 Å
• c: 11.0004 ± 0.0003 Å
• α: 115.652 ± 0.004°
• β: 99.615 ± 0.004°
• γ: 101.009 ± 0.006°
• Cell volume: 811.58 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No