Information card for entry 7200467

Structure parameters

• Formula: C96 H92 Cl6 N18 O33
• Calculated formula: C96 H88 Cl6 N18 O33
• Title of publication: Formation of symmetry non-equivalent molecules in urea and carbamate derivatives: the role of anion
• Authors of publication: Kalita, Dipjyoti; Sarma, Rupam; Baruah, Jubaraj B.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 803
• a: 17.719 ± 0.003 Å
• b: 15.831 ± 0.003 Å
• c: 18.506 ± 0.003 Å
• α: 90°
• β: 106.694 ± 0.009°
• γ: 90°
• Cell volume: 4972.3 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1658
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1703
• Weighted residual factors for all reflections included in the refinement: 0.2215
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No