Information card for entry 1542617

Structure parameters

• Formula: C9 H10 N3 O5
• Calculated formula: C9 H10 N3 O5
• Title of publication: Alkali base triggered intramolecular charge transfer metallogels based on symmetrical A-π-D-chiral-D-π-A type ligands.
• Authors of publication: Dixit, Manish Kumar; Pandey, Vinay Kumar; Dubey, Mrigendra
• Journal of publication: Soft matter
• Year of publication: 2016
• Journal volume: 12
• Journal issue: 15
• Pages of publication: 3622 - 3630
• a: 15.791 ± 0.003 Å
• b: 5.0056 ± 0.0006 Å
• c: 16.133 ± 0.003 Å
• α: 90°
• β: 122.52 ± 0.02°
• γ: 90°
• Cell volume: 1075.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No