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Information card for entry 1502816
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Coordinates | 1502816.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Altechromone A |
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Chemical name | 5-Hydroxy-2,7-dimethy-chromen-4-one |
Formula | C11 H10 O3 |
Calculated formula | C11 H10 O3 |
SMILES | O1C(C)=CC(=O)c2c(O)cc(C)cc12 |
Title of publication | Structural revision and synthesis of altechromone A. |
Authors of publication | Königs, P; Rinker, B.; Maus, L.; Nieger, M.; Rheinheimer, J.; Waldvogel, S. R. |
Journal of publication | Journal of natural products |
Year of publication | 2010 |
Journal volume | 73 |
Journal issue | 12 |
Pages of publication | 2064 - 2066 |
a | 6.9503 ± 0.0002 Å |
b | 16.4718 ± 0.0004 Å |
c | 8.2909 ± 0.0002 Å |
α | 90° |
β | 102.266 ± 0.001° |
γ | 90° |
Cell volume | 927.51 ± 0.04 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0602 |
Residual factor for significantly intense reflections | 0.0457 |
Weighted residual factors for significantly intense reflections | 0.1383 |
Weighted residual factors for all reflections included in the refinement | 0.1479 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/1502816.html
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Users of the data should acknowledge the original authors of the
structural data.