Information card for entry 7106303

Structure parameters

• Formula: C10 H18 N4 O2
• Calculated formula: C10 H18 N4 O2
• SMILES: ON(=O)=C1C(N2C(NCC2)(CC1(C)C)C)=N
• Title of publication: Bicyclization involving pseudo-intramolecular imination with diamines
• Authors of publication: Nagatoshi Nishiwaki; Shotaro Hirao; Jun Sawayama; Kazuhiko Saigo; Kazuya Kobiro
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 4938
• a: 10.713 ± 0.006 Å
• b: 9.556 ± 0.007 Å
• c: 23.622 ± 0.006 Å
• α: 90°
• β: 99.24 ± 0.03°
• γ: 90°
• Cell volume: 2387 ± 2 ų
• Cell temperature: 299.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.1838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No