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Information card for entry 2018109
Preview
| Coordinates | 2018109.cif |
|---|---|
| Structure factors | 2018109.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | <i>N</i>-{5-benzoyl-2-[(<i>Z</i>)-2-methoxyethenyl]-4-methylphenyl}benzamide |
|---|---|
| Formula | C24 H21 N O3 |
| Calculated formula | C24 H21 N O3 |
| SMILES | N(c1c(cc(c(c1)C(=O)c1ccccc1)C)/C=C\OC)C(=O)c1ccccc1 |
| Title of publication | Methyl 2-benzamido-4-(3,4-dimethoxyphenyl)-5-methylbenzoate and <i>N</i>-{5-benzoyl-2-[(<i>Z</i>)-2-methoxyethenyl]-4-methylphenyl}benzamide |
| Authors of publication | Kranjc, Krištof; Kočevar, Marijan; Perdih, Franc |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | o201 - o205 |
| a | 9.6722 ± 0.0002 Å |
| b | 10.014 ± 0.0002 Å |
| c | 11.5677 ± 0.0003 Å |
| α | 71.422 ± 0.001° |
| β | 84.479 ± 0.001° |
| γ | 67.753 ± 0.001° |
| Cell volume | 982.6 ± 0.04 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1115 |
| Residual factor for significantly intense reflections | 0.0617 |
| Weighted residual factors for all reflections included in the refinement | 0.1545 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201957 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/01 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2018109.cif 2018109.hkl |
| 180850 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/81. |
2018109.cif 2018109.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018109.cif 2018109.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018109.cif 2018109.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. | 2018109.cif 2018109.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2018109.cif 2018109.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2018109.cif 2018109.hkl |
| 22388 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2018108, 2018109 via cif-deposit CGI script. |
2018109.cif |
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Users of the data should acknowledge the original authors of the
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