Information card for entry 7155018

Structure parameters

• Chemical name: Compound 10
• Formula: C11 H13 N5 O4
• Calculated formula: C11 H13 N5 O4
• SMILES: c1nc2c(c(n1)N)ncn2[C@H]1[C@H]([C@@H](COC(=O)C)O1)O
• Title of publication: Synthesis and absolute configuration assignment of albucidin: a late-stage reductive deiodination by visible light photocatalysis.
• Authors of publication: Zhang, Hu; Liu, Peng-Fei; Chen, Qiong; Wu, Qiong-You; Seville, Anne; Gu, Yu-Cheng; Clough, John; Zhou, Shao-Lin; Yang, Guang-Fu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 13
• Pages of publication: 3482 - 3485
• a: 7.4773 ± 0.001 Å
• b: 8.2931 ± 0.0011 Å
• c: 20.419 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1266.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No