Information card for entry 2101494

Structure parameters

• Formula: C20 H22 N4 O6
• Calculated formula: C20 H22 N4 O6
• SMILES: O=C1N2[C@@H]3[C@@](C(=O)N1)(C)[C@]1(C(=O)NC(=O)N([C@@H]31)CCOc1c(OCC2)cccc1)C.O=C1N2[C@H]3[C@](C(=O)N1)(C)[C@@]1(C(=O)NC(=O)N([C@H]31)CCOc1c(OCC2)cccc1)C
• Title of publication: The rare <i>trans</i>-<i>syn</i> thymine photodimers: structures of polyoxyethylene-linked bisthymines and the derived <i>trans</i>-<i>syn</i> thymine photodimers. Comparison of the stereochemistry before and after photodimerization
• Authors of publication: Suresh, C. G.; Gangamani, B. P.; Ganesh, K. N.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 376 - 383
• a: 10.357 ± 0.004 Å
• b: 14.578 ± 0.005 Å
• c: 12.676 ± 0.002 Å
• α: 90°
• β: 97.99 ± 0.03°
• γ: 90°
• Cell volume: 1895.3 ± 1 ų
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No