Information card for entry 7708914

Structure parameters

• Formula: C15 H27 N21 O12
• Calculated formula: C15 H27 N21 O12
• Title of publication: Two metal-free cyanurate crystals with a large optical birefringence resulting from the combination of π-conjugated units
• Authors of publication: Liu, Xiaomeng; Kang, Lei; Guo, Ruixin; Lin, Zheshuai
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 9.9296 ± 0.0005 Å
• b: 10.4028 ± 0.0004 Å
• c: 13.9056 ± 0.0006 Å
• α: 84.674 ± 0.003°
• β: 76.702 ± 0.004°
• γ: 83.421 ± 0.004°
• Cell volume: 1385.38 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No