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Information card for entry 2240353
Preview
| Coordinates | 2240353.cif |
|---|---|
| Structure factors | 2240353.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1',1''-Dimethyl-4'-(4-cholorophenyl)dispiro[11<i>H</i>- indeno[1,2-<i>b</i>]quinoxaline-11,2'-pyrrolidine-3',3''-piperidin]-4''-one |
|---|---|
| Formula | C30 H27 Cl N4 O |
| Calculated formula | C30 H27 Cl N4 O |
| SMILES | CN1C[C@@H]([C@@]2([C@]31c1c(cccc1)c1c3nc3c(cccc3)n1)CN(C)CCC2=O)c1ccc(cc1)Cl.CN1C[C@H]([C@]2([C@@]31c1c(cccc1)c1c3nc3c(cccc3)n1)CN(C)CCC2=O)c1ccc(cc1)Cl |
| Title of publication | Crystal structure of 1',1''-dimethyl-4'-(4-cholorophenyl)dispiro[11<i>H</i>-indeno[1,2-<i>b</i>]quinoxaline-11,2'-pyrrolidine-3',3''-piperidin]-4''-one |
| Authors of publication | Nagalakshmi, R.A.; Suresh, J.; Malathi, K.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | o68 - o69 |
| a | 22.422 ± 0.0013 Å |
| b | 14.3498 ± 0.0009 Å |
| c | 17.2811 ± 0.0009 Å |
| α | 90° |
| β | 116.847 ± 0.002° |
| γ | 90° |
| Cell volume | 4960.9 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.063 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.1006 |
| Weighted residual factors for all reflections included in the refinement | 0.1155 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181903 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03 |
2240353.cif 2240353.hkl |
| 181323 | 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 2/24/03. |
2240353.cif 2240353.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. |
2240353.cif 2240353.hkl |
| 129345 | 2015-01-04 | cif/ hkl/ Adding structures of 2240353 via cif-deposit CGI script. |
2240353.cif 2240353.hkl |
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Users of the data should acknowledge the original authors of the
structural data.