Information card for entry 4303445

Structure parameters

• Formula: C12 H20 N4 O4
• Calculated formula: C12 H20 N4 O4
• SMILES: C1/C(=N/OC/C(C)=N/OC/C(=N/OC/C(C)=N/O1)C)C
• Title of publication: One-Pot, Template Syntheses of a New Class of Metallomacrocycles with a Tetraoxime Cyclic Skeleton
• Authors of publication: Shohei Tashiro; Ai Minoda; Mihoko Yamada; Mitsuhiko Shionoya
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10093 - 10101
• a: 8.1968 ± 0.0004 Å
• b: 9.3192 ± 0.0005 Å
• c: 9.6427 ± 0.0006 Å
• α: 90°
• β: 95.0169 ± 0.0018°
• γ: 90°
• Cell volume: 733.76 ± 0.07 ų
• Cell temperature: 133.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No