Information card for entry 7225852

Structure parameters

• Formula: C10 H18 N4 O4
• Calculated formula: C10 H18 N4 O4
• Title of publication: Anion assisted supramolecular self-assemblies of succinate and malate adducts: Crystal structure and Theoretical modelling
• Authors of publication: RUBALINGAM, PADMAVATHY; N, Karthikeyan; Duraisamy, Sathya; R, Jagan; R., Mohan Kumar; Kandasamy, Sivakumar
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 6.0011 ± 0.0003 Å
• b: 18.2772 ± 0.001 Å
• c: 11.7435 ± 0.0007 Å
• α: 90°
• β: 99.398 ± 0.002°
• γ: 90°
• Cell volume: 1270.78 ± 0.12 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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 all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No