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Information card for entry 2237130
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| Coordinates | 2237130.cif |
|---|---|
| Structure factors | 2237130.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Common name | Glycine‒phthalic acid (1/1) |
|---|---|
| Chemical name | 2-Azaniumylethanoate‒phthalic acid (1/1) |
| Formula | C10 H11 N O6 |
| Calculated formula | C10 H11 N O6 |
| SMILES | O=C(O)c1c(cccc1)C(=O)O.O=C([O-])C[NH3+] |
| Title of publication | Glycine‒phthalic acid (1/1) |
| Authors of publication | Balakrishnan, T.; Ramamurthi, K.; Thamotharan, S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 1 |
| Pages of publication | o57 |
| a | 7.9657 ± 0.0005 Å |
| b | 11.347 ± 0.0007 Å |
| c | 23.513 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2125.3 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0446 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for significantly intense reflections | 0.086 |
| Weighted residual factors for all reflections included in the refinement | 0.0903 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2237130.cif 2237130.hkl |
| 181293 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/71. |
2237130.cif 2237130.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2237130.cif 2237130.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237130.cif 2237130.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2237130.cif 2237130.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237130.cif 2237130.hkl |
| 73339 | 2013-02-20 | cif/ Adding structures of 2237130 via cif-deposit CGI script. |
2237130.cif |
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Users of the data should acknowledge the original authors of the
structural data.