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Information card for entry 2232416
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| Coordinates | 2232416.cif |
|---|---|
| Structure factors | 2232416.hkl |
| Original IUCr paper | HTML |
| Chemical name | (Phenyl)(3-phenylsulfonyl-1,2-dihydropyrrolo[1,2-<i>a</i>]quinoxalin-1- yl)methanone |
|---|---|
| Formula | C24 H18 N2 O3 S |
| Calculated formula | C24 H18 N2 O3 S |
| SMILES | S(=O)(=O)(C1=C2N(c3c(N=C2)cccc3)C(C1)C(=O)c1ccccc1)c1ccccc1 |
| Title of publication | (Phenyl)(3-phenylsulfonyl-1,2-dihydropyrrolo[1,2-<i>a</i>]quinoxalin-1-yl)methanone |
| Authors of publication | Dürüst, Yaşar; Sağırlı, Akın; Fronczek, Frank R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | o2859 - o2860 |
| a | 19.0915 ± 0.0009 Å |
| b | 9.9636 ± 0.0005 Å |
| c | 10.4203 ± 0.0005 Å |
| α | 90° |
| β | 104.619 ± 0.0013° |
| γ | 90° |
| Cell volume | 1917.98 ± 0.16 Å3 |
| Cell temperature | 90 ± 0.5 K |
| Ambient diffraction temperature | 90 ± 0.5 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0297 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for significantly intense reflections | 0.0757 |
| Weighted residual factors for all reflections included in the refinement | 0.0761 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181246 (current) | 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 2/23/24. |
2232416.cif 2232416.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. |
2232416.cif 2232416.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232416.cif 2232416.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. | 2232416.cif 2232416.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232416.cif 2232416.hkl |
| 31073 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232416 via cif-deposit CGI script. |
2232416.cif |
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Users of the data should acknowledge the original authors of the
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