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Information card for entry 2227619
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| Coordinates | 2227619.cif |
|---|---|
| Structure factors | 2227619.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-[11-(4-Chlorophenyl)-11,12- dihydrobenzo[<i>c</i>]phenanthridin-6-yl]benzamide |
|---|---|
| Formula | C30 H21 Cl N2 O |
| Calculated formula | C30 H21 Cl N2 O |
| SMILES | Clc1ccc(cc1)C1Cc2ccccc2c2c1c1ccccc1c(n2)NC(=O)c1ccccc1 |
| Title of publication | <i>N</i>-[11-(4-Chlorophenyl)-11,12-dihydrobenzo[<i>c</i>]phenanthridin-6-yl]benzamide |
| Authors of publication | Zhang, Min; Wu, Xiang-Yang; Yang, Liu-Qing |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 11 |
| Pages of publication | o2973 - o2974 |
| a | 26.567 ± 0.005 Å |
| b | 9.6752 ± 0.0019 Å |
| c | 17.329 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4454.3 ± 1.6 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0428 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.1003 |
| Weighted residual factors for all reflections included in the refinement | 0.1026 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181197 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/76. |
2227619.cif 2227619.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2227619.cif 2227619.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227619.cif 2227619.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. | 2227619.cif 2227619.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227619.cif 2227619.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227619.cif 2227619.hkl |
| 4656 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2227619 via cif-deposit CGI script. |
2227619.cif |
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Users of the data should acknowledge the original authors of the
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