Information card for entry 7062313

Structure parameters

• Formula: C17 H18 Cl N3 O6
• Calculated formula: C17 H18 Cl N3 O6
• Title of publication: Assemblies of salts of urea and thiourea derivatives and release of hosts from composites with calcium oxide
• Authors of publication: Brahma, Rinki; Baruah, Jubaraj Bikash
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 13
• Pages of publication: 6211 - 6223
• a: 10.886 ± 0.003 Å
• b: 8.2613 ± 0.0018 Å
• c: 20.14 ± 0.005 Å
• α: 90°
• β: 98.99 ± 0.006°
• γ: 90°
• Cell volume: 1789 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• 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: 0.0773
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No