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Information card for entry 4003061
Preview
| Coordinates | 4003061.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C6 H5 N5 O2 |
|---|---|
| Calculated formula | C6 H5 N5 O2 |
| Title of publication | Structure and Morphology of Light-Reflecting Synthetic and Biogenic Polymorphs of Isoxanthopterin: A Comparison |
| Authors of publication | Hirsch, Anna; Palmer, Benjamin A.; Ramasubramaniam, Ashwin; Williams, P. Andrew; Harris, Kenneth D. M.; Pokroy, Boaz; Weiner, Steve; Addadi, Lia; Leiserowitz, Leslie; Kronik, Leeor |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2019 |
| Journal volume | 31 |
| Journal issue | 12 |
| Pages of publication | 4479 |
| a | 4.4848 ± 0.0006 Å |
| b | 9.8986 ± 0.0013 Å |
| c | 20.4187 ± 0.0007 Å |
| α | 90° |
| β | 131.157 ± 0.006° |
| γ | 90° |
| Cell volume | 682.48 ± 0.14 Å3 |
| Cell temperature | 294 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 |
| RFsqd | 0.34554 |
| Goodness-of-fit parameter for all reflections | 1.13 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5406 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301811 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 4/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
4003061.cif |
| 220480 | 2019-10-29 | cif/ Adding structures of 4003061 via cif-deposit CGI script. |
4003061.cif |
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Users of the data should acknowledge the original authors of the
structural data.