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Information card for entry 4517007
Preview
Coordinates | 4517007.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H32 N4 O9 |
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Calculated formula | C26 H32 N4 O9 |
SMILES | O=C1N(C(=O)N(CCC(=O)OC)C=C1C)Cc1cc(CN2C(=O)N(C=C(C2=O)C)CCC(=O)OC)ccc1.O |
Title of publication | Solid-State Photochemical Reaction of Multisubstituted Thymine Derivatives |
Authors of publication | Udagawa, Akihiro; Johnston, Priscilla; Uekusa, Hidehiro; Koshima, Hideko; Saito, Kei; Asahi, Toru |
Journal of publication | ACS Sustainable Chemistry & Engineering |
Year of publication | 2016 |
Journal volume | 4 |
Journal issue | 11 |
Pages of publication | 6107 |
a | 10.943 ± 0.0007 Å |
b | 12.7063 ± 0.0008 Å |
c | 19.0931 ± 0.0012 Å |
α | 90° |
β | 95.517 ± 0.003° |
γ | 90° |
Cell volume | 2642.5 ± 0.3 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1267 |
Residual factor for significantly intense reflections | 0.0944 |
Weighted residual factors for significantly intense reflections | 0.2531 |
Weighted residual factors for all reflections included in the refinement | 0.2997 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.144 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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