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Information card for entry 2237327
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Coordinates | 2237327.cif |
---|---|
Structure factors | 2237327.hkl |
Original IUCr paper | HTML |
External links | ChemSpider |
Chemical name | 2-(Naphthalene-2-sulfonamido)-3-phenylpropanoic acid |
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Formula | C19 H17 N O4 S |
Calculated formula | C19 H17 N O4 S |
SMILES | S(=O)(=O)(NC(Cc1ccccc1)C(=O)O)c1cccc2c1cccc2 |
Title of publication | 2-(Naphthalene-2-sulfonamido)-3-phenylpropanoic acid |
Authors of publication | Mubashar-ur-Rehman, Hafiz; Arshad, Muhammad Nadeem; Asiri, Abdullah M.; Khan, Islam Ullah; Bilal, Muhammad |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2013 |
Journal volume | 69 |
Journal issue | 2 |
Pages of publication | o194 |
a | 8.0694 ± 0.0002 Å |
b | 15.2168 ± 0.0004 Å |
c | 14.0996 ± 0.0003 Å |
α | 90° |
β | 92.505 ± 0.002° |
γ | 90° |
Cell volume | 1729.64 ± 0.07 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0529 |
Residual factor for significantly intense reflections | 0.0414 |
Weighted residual factors for significantly intense reflections | 0.1076 |
Weighted residual factors for all reflections included in the refinement | 0.1183 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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. |
2237327.cif 2237327.hkl |
181295 | 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 2/23/73. |
2237327.cif 2237327.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. |
2237327.cif 2237327.hkl |
171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2237327.cif 2237327.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. | 2237327.cif 2237327.hkl |
75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237327.cif 2237327.hkl |
75338 | 2013-03-09 | cif/ Adding structures of 2237327 via cif-deposit CGI script. |
2237327.cif |
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Users of the data should acknowledge the original authors of the
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