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Information card for entry 2232419
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| Coordinates | 2232419.cif |
|---|---|
| Structure factors | 2232419.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | <i>N</i>-(1-Naphthyl)benzenesulfonamide |
|---|---|
| Formula | C16 H13 N O2 S |
| Calculated formula | C16 H13 N O2 S |
| SMILES | S(=O)(=O)(Nc1cccc2c1cccc2)c1ccccc1 |
| Title of publication | <i>N</i>-(1-Naphthyl)benzenesulfonamide |
| Authors of publication | Zhang, Sifang; Zhang, Yuewen; Wang, Chuntao; Zhu, Ruitao |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | o2831 |
| a | 4.9232 ± 0.0005 Å |
| b | 15.4162 ± 0.0015 Å |
| c | 18.2102 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1382.1 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0418 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.0799 |
| Weighted residual factors for all reflections included in the refinement | 0.0839 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| 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. |
2232419.cif 2232419.hkl |
| 181246 | 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. |
2232419.cif 2232419.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. |
2232419.cif 2232419.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232419.cif 2232419.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. | 2232419.cif 2232419.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232419.cif 2232419.hkl |
| 31077 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232419 via cif-deposit CGI script. |
2232419.cif |
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Users of the data should acknowledge the original authors of the
structural data.