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Information card for entry 2008369
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| Coordinates | 2008369.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 3,5,7,3'-tetrahydroxy-4'-methoxyflavone monohydrate |
|---|---|
| Formula | C16 H14 O8 |
| Calculated formula | C16 H14 O8 |
| SMILES | o1c(c(O)c(=O)c2c(O)cc(O)cc12)c1cc(O)c(OC)cc1.O |
| Title of publication | Tamarixetin monohydrate |
| Authors of publication | Nor Syarmila Shuib; Teng Wah Sam; Keng Chong Wong; Kandasamy Chinnakali; Hoong-Kun Fun |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 4 |
| Pages of publication | 576 - 578 |
| a | 7.375 ± 0.0001 Å |
| b | 12.53 ± 0.0002 Å |
| c | 15.8752 ± 0.0002 Å |
| α | 84.095 ± 0.001° |
| β | 86.38 ± 0.001° |
| γ | 77.933 ± 0.001° |
| Cell volume | 1425.67 ± 0.04 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.076 |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for all reflections included in the refinement | 0.163 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.184 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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