Information card for entry 4303446

Structure parameters

• Formula: C12 H12 N2 O4
• Calculated formula: C12 H12 N2 O4
• SMILES: O(/N=C(\C)CON1C(=O)c2c(C1=O)cccc2)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: 11.9651 ± 0.0007 Å
• b: 12.3116 ± 0.0007 Å
• c: 16.594 ± 0.0008 Å
• α: 89.5011 ± 0.0016°
• β: 80.3186 ± 0.0015°
• γ: 86.0787 ± 0.0019°
• Cell volume: 2404 ± 0.2 ų
• Cell temperature: 93.1 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: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.2499
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No