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Information card for entry 2237368
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| Coordinates | 2237368.cif |
|---|---|
| Structure factors | 2237368.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | 2,6-Dimethylphenyl acridine-9-carboxylate |
|---|---|
| Formula | C22 H17 N O2 |
| Calculated formula | C22 H17 N O2 |
| SMILES | c1cccc2nc3ccccc3c(c12)C(=O)Oc1c(cccc1C)C |
| Title of publication | 2,6-Dimethylphenyl acridine-9-carboxylate |
| Authors of publication | Trzybiński, Damian; Wera, Michał; Krzymiński, Karol; Błażejowski, Jerzy |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 2 |
| Pages of publication | o166 |
| a | 12.8617 ± 0.001 Å |
| b | 7.5352 ± 0.0005 Å |
| c | 17.595 ± 0.0015 Å |
| α | 90° |
| β | 103.143 ± 0.008° |
| γ | 90° |
| Cell volume | 1660.6 ± 0.2 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0918 |
| Residual factor for significantly intense reflections | 0.0565 |
| Weighted residual factors for significantly intense reflections | 0.1305 |
| Weighted residual factors for all reflections included in the refinement | 0.1514 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.968 |
| 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. |
2237368.cif 2237368.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. |
2237368.cif 2237368.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. |
2237368.cif 2237368.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. | 2237368.cif 2237368.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237368.cif 2237368.hkl |
| 75384 | 2013-03-09 | cif/ Adding structures of 2237368 via cif-deposit CGI script. |
2237368.cif |
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Users of the data should acknowledge the original authors of the
structural data.