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Information card for entry 1551601
Preview
| Coordinates | 1551601.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | ocpf |
|---|---|
| Formula | C20 H18 O10 |
| Calculated formula | C20 H18 O10 |
| SMILES | c1c(c(cc2[o+]c3c(c(c12)c1c(cccc1)C(=O)[O-])cc(O)c(O)c3)O)O.O.O.O |
| Title of publication | Crystal Structure of <i>o</i>-Carboxyphenylfluorone as a Multifunctional Dye |
| Authors of publication | YAMAGUCHI, Takako; HOSHINO, Mitsuru; MIYACHI, Kanako; KAMINO, Shinichiro; NAKAHARA, Ryousuke; DOI, Mitsunobu; ASANO, Mamiko; MATSUMURA, Hitoshi; FUJITA, Yoshikazu |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2016 |
| Journal volume | 32 |
| Journal issue | 0 |
| Pages of publication | 9 |
| a | 8.7375 ± 0.0016 Å |
| b | 9.3944 ± 0.0017 Å |
| c | 11.712 ± 0.002 Å |
| α | 107.747 ± 0.003° |
| β | 93.435 ± 0.003° |
| γ | 91.447 ± 0.003° |
| Cell volume | 913 ± 0.3 Å3 |
| Cell temperature | 240 ± 2 K |
| Ambient diffraction temperature | 240 ± 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 | 0.0842 |
| Residual factor for significantly intense reflections | 0.074 |
| Weighted residual factors for significantly intense reflections | 0.215 |
| Weighted residual factors for all reflections included in the refinement | 0.2267 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216212 (current) | 2019-06-20 | cif/ Adding structures of 1551601 via cif-deposit CGI script. |
1551601.cif |
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Users of the data should acknowledge the original authors of the
structural data.