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Information card for entry 4029762
Preview
Coordinates | 4029762.cif |
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Original paper (by DOI) | HTML |
Formula | C29 H37 N5 O7 S |
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Calculated formula | C29 H37 N5 O7 S |
SMILES | O=C1N=C2N(c3c(N=C2C(=O)N1C)cc(c(c3)C)C)CCN1C(=O)[C@@]2(C[C@@](C1=O)(C)CC(C2)(C)C(=O)O)C.S(=O)(C)C |
Title of publication | Synthesis of rigidified flavin-guanidinium ion conjugates and investigation of their photocatalytic properties. |
Authors of publication | Schmaderer, Harald; Bhuyan, Mouchumi; König, Burkhard |
Journal of publication | Beilstein journal of organic chemistry |
Year of publication | 2009 |
Journal volume | 5 |
Pages of publication | 26 |
a | 10.6278 ± 0.0004 Å |
b | 11.8039 ± 0.0006 Å |
c | 12.8185 ± 0.0005 Å |
α | 84.158 ± 0.004° |
β | 81.21 ± 0.004° |
γ | 71.668 ± 0.004° |
Cell volume | 1506.06 ± 0.12 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0765 |
Residual factor for significantly intense reflections | 0.0655 |
Weighted residual factors for significantly intense reflections | 0.1783 |
Weighted residual factors for all reflections included in the refinement | 0.1888 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4029762.html
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