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Information card for entry 2240262
Preview
| Coordinates | 2240262.cif |
|---|---|
| Structure factors | 2240262.hkl |
| Original IUCr paper | HTML |
| Chemical name | Methyl 1-methyl-3,5-diphenyl-7-tosyl-3,6,7,11b-tetrahydropyrazolo[4',3':5,6]pyrano[3,4-<i>c</i>]quinoline-5a(5<i>H</i>)-carboxylate |
|---|---|
| Formula | C35 H31 N3 O5 S |
| Calculated formula | C35 H31 N3 O5 S |
| SMILES | S(=O)(=O)(N1C[C@]2([C@@H](c3c1cccc3)c1c(O[C@H]2c2ccccc2)n(nc1C)c1ccccc1)C(=O)OC)c1ccc(C)cc1.S(=O)(=O)(N1C[C@@]2([C@H](c3c1cccc3)c1c(O[C@@H]2c2ccccc2)n(nc1C)c1ccccc1)C(=O)OC)c1ccc(C)cc1 |
| Title of publication | Crystal structure of methyl 1-methyl-3,5-diphenyl-7-tosyl-3,6,7,11b-tetrahydropyrazolo[4',3':5,6]pyrano[3,4-<i>c</i>]quinoline-5a(5<i>H</i>)-carboxylate |
| Authors of publication | Nadendla, Eswar Kumar; Jagadeesan, G.; Kannan, D.; Bakthadoss, Mannickam; Gunasekaran, K. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 12 |
| Pages of publication | o1295 - o1296 |
| a | 10.781 ± 0.005 Å |
| b | 11.682 ± 0.005 Å |
| c | 14.56 ± 0.005 Å |
| α | 112.708 ± 0.005° |
| β | 91.908 ± 0.005° |
| γ | 113.18 ± 0.005° |
| Cell volume | 1517.5 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0543 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.1095 |
| Weighted residual factors for all reflections included in the refinement | 0.118 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181902 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/02 |
2240262.cif 2240262.hkl |
| 181322 | 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 2/24/02. |
2240262.cif 2240262.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. |
2240262.cif 2240262.hkl |
| 128015 | 2014-11-30 | cif/ hkl/ Adding structures of 2240262 via cif-deposit CGI script. |
2240262.cif 2240262.hkl |
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Users of the data should acknowledge the original authors of the
structural data.