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Information card for entry 2225898
Preview
Coordinates | 2225898.cif |
---|---|
Structure factors | 2225898.hkl |
Original IUCr paper | HTML |
Common name | 4-Hydroxymethyl-piperidine-2,6-dicarboxylic acid dimethyl ester |
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Chemical name | Dimethyl <i>cis</i>-4-hydroxymethylpiperidine-2,6-dicarboxylate |
Formula | C10 H17 N O5 |
Calculated formula | C10 H17 N O5 |
SMILES | N1[C@@H](C(=O)OC)CC(C[C@H]1C(=O)OC)CO |
Title of publication | Dimethyl <i>cis</i>-4-hydroxymethylpiperidine-2,6-dicarboxylate |
Authors of publication | Hartung, Jens; Stapf, Georg; Bergsträsser, Uwe |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 5 |
Pages of publication | o1013 |
a | 9.1403 ± 0.0004 Å |
b | 7.9153 ± 0.0003 Å |
c | 16.0199 ± 0.0006 Å |
α | 90° |
β | 90.503 ± 0.004° |
γ | 90° |
Cell volume | 1158.97 ± 0.08 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 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 |
Residual factor for significantly intense reflections | 0.0441 |
Weighted residual factors for all reflections included in the refinement | 0.146 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.894 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181179 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/58. |
2225898.cif 2225898.hkl |
176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2225898.cif 2225898.hkl |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2225898.cif 2225898.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. | 2225898.cif 2225898.hkl |
26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2225898.cif 2225898.hkl |
1208 | 2010-06-08 | hkl/2/ Adding Fobs data for the most recent Acta Cryst. deposition. |
2225898.cif 2225898.hkl |
1197 | 2010-06-06 | cif/2/ Adding data from the Acta-Cryst-E-2010_05 processing directory. |
2225898.cif |
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Users of the data should acknowledge the original authors of the
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