Information card for entry 7120523

Structure parameters

• Formula: C16 H22 N8 O7
• Calculated formula: C16 H22 N8 O7
• Title of publication: Template-assisted photodimerization of N-unprotected uracil derivatives - Selective formation of the cis-syn photodimer
• Authors of publication: Weckenmann, Nicole Margrita; Maichle-Moessmer , Caecilia; Nachtsheim, Boris Johannes
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 7.9316 ± 0.001 Å
• b: 8.1627 ± 0.001 Å
• c: 16.285 ± 0.002 Å
• α: 81.196 ± 0.005°
• β: 78.977 ± 0.006°
• γ: 74.965 ± 0.005°
• Cell volume: 993.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0627
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No