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Information card for entry 8101835
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| Coordinates | 8101835.cif |
|---|---|
| External links | PubChem |
| Chemical name | L-tryptophanium phosphite |
|---|---|
| Formula | C11 H15 N2 O5 P |
| Calculated formula | C11 H15 N2 O5 P |
| SMILES | P(=O)(O)[O-].[NH3+][C@H](C(=O)O)Cc1c2c([nH]c1)cccc2 |
| Title of publication | Crystal structure of L-tryptophanium phosphite, (C~11~H~13~N~2~O~2~) [H~2~PO~3~] |
| Authors of publication | M. Ramos Silva; J. A. Paixão; A. Matos Beja |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2005 |
| Journal volume | 220 |
| Journal issue | 3 |
| Pages of publication | 487 - 488 |
| a | 5.5442 ± 0.0006 Å |
| b | 8.3603 ± 0.0004 Å |
| c | 27.427 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1271.3 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1343 |
| Residual factor for significantly intense reflections | 0.0529 |
| Weighted residual factors for significantly intense reflections | 0.1207 |
| Weighted residual factors for all reflections included in the refinement | 0.1462 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8101835.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8101835.cif |
| 107931 | 2014-03-24 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101835.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101835.cif |
| 12574 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101835 via cif-deposit CGI script. |
8101835.cif |
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