Information card for entry 1551619

Structure parameters

• Formula: C17 H16 N4 O7
• Calculated formula: C17 H16 N4 O7
• SMILES: O=C1/C(C=C(N(=O)=O)C=C1)=C\NCC(O)CN/C=C1\C(=O)C=CC(=C1)N(=O)=O
• Title of publication: Synthesis and Crystal Structure of 1,3-Bis(5-nitrosalicylideneamino)-2-propanol
• Authors of publication: MIUKURIYA, Masahiro; NAKA, Yuko; YOSHIOKA, Daisuke
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2015
• Journal volume: 31
• Journal issue: 0
• Pages of publication: 55
• a: 18.388 ± 0.005 Å
• b: 10.355 ± 0.003 Å
• c: 19.159 ± 0.005 Å
• α: 90°
• β: 113.596 ± 0.006°
• γ: 90°
• Cell volume: 3343 ± 1.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 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 all reflections: 0.1175
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.1653
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.318
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No