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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 |
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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2240353.html
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Users of the data should acknowledge the original authors of the
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