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Information card for entry 2226567
Preview
Coordinates | 2226567.cif |
---|---|
Structure factors | 2226567.hkl |
Original IUCr paper | HTML |
External links | ChemSpider |
Chemical name | (4<i>S</i>)-4-Benzyl-<i>N</i>-{[(4<i>S</i>)-4-benzyl-2-oxo-1,3-oxazolidin- 3-yl]sulfonyl}-2-oxo-1,3-oxazolidine-3-carboxamide |
---|---|
Formula | C21 H21 N3 O7 S |
Calculated formula | C21 H21 N3 O7 S |
SMILES | S(=O)(=O)(N1[C@@H](Cc2ccccc2)COC1=O)NC(=O)N1[C@H](COC1=O)Cc1ccccc1 |
Title of publication | (4<i>S</i>)-4-Benzyl-<i>N</i>-{[(4<i>S</i>)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]sulfonyl}-2-oxo-1,3-oxazolidine-3-carboxamide |
Authors of publication | Berredjem, Malika; Allaoui, Assia; Direm, Amani; Aouf, Noureddine; Benali-Cherif, Nourredine |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 7 |
Pages of publication | o1611 - o1612 |
a | 10.4262 ± 0.0003 Å |
b | 9.7171 ± 0.0002 Å |
c | 10.7402 ± 0.0002 Å |
α | 90° |
β | 101.504 ± 0.002° |
γ | 90° |
Cell volume | 1066.26 ± 0.04 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0841 |
Residual factor for significantly intense reflections | 0.0536 |
Weighted residual factors for significantly intense reflections | 0.133 |
Weighted residual factors for all reflections included in the refinement | 0.152 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
201978 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/22 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2226567.cif 2226567.hkl |
181186 | 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 2/22/65. |
2226567.cif 2226567.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. |
2226567.cif 2226567.hkl |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2226567.cif 2226567.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. | 2226567.cif 2226567.hkl |
26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2226567.cif 2226567.hkl |
1452 | 2010-10-08 | hkl/ Adding Fobs data for the recent IUCr structure deposition. NB. This revision is recomitted anew after it appeared that in the original COD repository revision file '1452' was corrupt. |
2226567.cif 2226567.hkl |
1284 | 2010-08-08 | cif/2/ Adding the processed IUCr 2010 June and July CIFs. |
2226567.cif |
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Users of the data should acknowledge the original authors of the
structural data.