Information card for entry 4513734

Structure parameters

• Formula: C20 H21 N2 O9 P S
• Calculated formula: C20 H21 N2 O9 P S
• SMILES: S(/C=C(OP(=O)(OCC)OCC)/c1ccc(N(=O)=O)cc1)CC(=O)c1ccc(N(=O)=O)cc1
• Title of publication: Postsynthetic Modification of DNA Phosphodiester Backbone for Photocaged DNAzyme.
• Authors of publication: Wang, Xiaoyan; Feng, Mengli; Xiao, Lu; Tong, Aijun; Xiang, Yu
• Journal of publication: ACS chemical biology
• Year of publication: 2016
• Journal volume: 11
• Journal issue: 2
• Pages of publication: 444 - 451
• a: 8.5482 ± 0.0017 Å
• b: 11.007 ± 0.002 Å
• c: 12.743 ± 0.003 Å
• α: 73.48 ± 0.03°
• β: 82.03 ± 0.03°
• γ: 83.95 ± 0.03°
• Cell volume: 1135.6 ± 0.4 ų
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0954
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.1855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1656
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No