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Information card for entry 2240075
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| Coordinates | 2240075.cif |
|---|---|
| Structure factors | 2240075.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,4-Bis(2-chlorophenyl)-7-<i>tert</i>-pentyl-3-azabicyclo[3.3.1]nonan-9-one |
|---|---|
| Formula | C25 H29 Cl2 N O |
| Calculated formula | C25 H29 Cl2 N O |
| Title of publication | Crystal structure of 2,4-bis(2-chlorophenyl)-7-<i>tert</i>-pentyl-3-azabicyclo[3.3.1]nonan-9-one |
| Authors of publication | Park, Dong Ho; Ramkumar, V.; Parthiban, P. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | o1161 - o1162 |
| a | 7.6006 ± 0.0003 Å |
| b | 10.624 ± 0.0005 Å |
| c | 15.1124 ± 0.0007 Å |
| α | 106.116 ± 0.002° |
| β | 99.996 ± 0.002° |
| γ | 98.266 ± 0.002° |
| Cell volume | 1130.54 ± 0.09 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.057 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.1063 |
| Weighted residual factors for all reflections included in the refinement | 0.1188 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181900 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/00 |
2240075.cif 2240075.hkl |
| 181320 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/00. |
2240075.cif 2240075.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240075.cif 2240075.hkl |
| 125435 | 2014-10-16 | cif/ hkl/ Adding structures of 2240075 via cif-deposit CGI script. |
2240075.cif 2240075.hkl |
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Users of the data should acknowledge the original authors of the
structural data.