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Information card for entry 2232008
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| Coordinates | 2232008.cif |
|---|---|
| Structure factors | 2232008.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | Benzyl 2-{4-[2-(4-chlorobenzoylamino)ethyl]phenoxy}-2-methylpropionate |
|---|---|
| Formula | C26 H26 Cl N O4 |
| Calculated formula | C26 H26 Cl N O4 |
| SMILES | Clc1ccc(cc1)C(=O)NCCc1ccc(OC(C(=O)OCc2ccccc2)(C)C)cc1 |
| Title of publication | Benzyl 2-{4-[2-(4-chlorobenzoylamino)ethyl]phenoxy}-2-methylpropionate |
| Authors of publication | Mustafa, Ghulam; Tasneem, Sania; Khan, Islam Ullah; Ashfaq, Muhammad; Arshad, Muhammad Nadeem |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | o2803 |
| a | 5.548 ± 0.0001 Å |
| b | 11.0716 ± 0.0003 Å |
| c | 18.9641 ± 0.0005 Å |
| α | 82.247 ± 0.001° |
| β | 86.915 ± 0.001° |
| γ | 85.674 ± 0.001° |
| Cell volume | 1149.81 ± 0.05 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0651 |
| Residual factor for significantly intense reflections | 0.0485 |
| Weighted residual factors for significantly intense reflections | 0.1262 |
| Weighted residual factors for all reflections included in the refinement | 0.1416 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| 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. |
2232008.cif 2232008.hkl |
| 181242 | 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 2/23/20. |
2232008.cif 2232008.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. |
2232008.cif 2232008.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2232008.cif 2232008.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232008.cif 2232008.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. | 2232008.cif 2232008.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2232008.cif 2232008.hkl |
| 29297 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232008 via cif-deposit CGI script. |
2232008.cif |
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Users of the data should acknowledge the original authors of the
structural data.