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Information card for entry 2227390
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| Coordinates | 2227390.cif |
|---|---|
| Structure factors | 2227390.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Azidomethyl-7-methyl-2-oxo-2<i>H</i>-chromene-6-sulfonyl azide |
|---|---|
| Formula | C11 H8 N6 O4 S |
| Calculated formula | C11 H8 N6 O4 S |
| SMILES | S(=O)(=O)(N=N#N)c1cc2c(cc(=O)oc2cc1C)CN=N#N |
| Title of publication | 4-Azidomethyl-7-methyl-2-oxo-2<i>H</i>-chromene-6-sulfonyl azide |
| Authors of publication | Basanagouda, Mahantesha; Nayak, Susanta K.; Guru Row, T. N.; Kulkarni, Manohar V. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 11 |
| Pages of publication | o2780 |
| a | 13.5452 ± 0.0012 Å |
| b | 27.952 ± 0.003 Å |
| c | 14.1107 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5342.5 ± 0.9 Å3 |
| Cell temperature | 292 ± 2 K |
| Ambient diffraction temperature | 292 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.0513 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.0958 |
| Weighted residual factors for all reflections included in the refinement | 0.102 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181194 (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 2/22/73. |
2227390.cif 2227390.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. |
2227390.cif 2227390.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2227390.cif 2227390.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227390.cif 2227390.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. | 2227390.cif 2227390.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227390.cif 2227390.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227390.cif 2227390.hkl |
| 4427 | 2010-12-17 | ../uploads/cif-deposit/cod/cif Adding structures of 2227390 via cif-deposit CGI script. |
2227390.cif |
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