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Information card for entry 2239656
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| Coordinates | 2239656.cif |
|---|---|
| Structure factors | 2239656.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 5'-([1,1'-Biphenyl]-4-yl)-1',1'',3''-trimethyldispiro[indane-2,2'-pyrrolidine-4',5''-[1,3]diazinane]-1,3,2'',4'',6''-pentaone |
|---|---|
| Formula | C30 H25 N3 O5 |
| Calculated formula | C30 H25 N3 O5 |
| SMILES | c1ccccc1c1ccc(cc1)C1C2(CC3(C(=O)c4c(C3=O)cccc4)N1C)C(=O)N(C(=O)N(C2=O)C)C |
| Title of publication | 5'-([1,1'-Biphenyl]-4-yl)-1',1'',3''-trimethyldispiro[indane-2,2'-pyrrolidine-4',5''-[1,3]diazinane]-1,3,2'',4'',6''-pentaone |
| Authors of publication | Subramanyahegde; Amar, Hosamani; Shivaraj, Yellappa; Vijayakumar, Giriyapura R.; Palakshamurthy, Bandrehalli Siddagangaiah |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 7 |
| Pages of publication | o759 |
| a | 8.3301 ± 0.001 Å |
| b | 26.07 ± 0.004 Å |
| c | 12.0441 ± 0.0014 Å |
| α | 90° |
| β | 94.496 ± 0.006° |
| γ | 90° |
| Cell volume | 2607.5 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0727 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.1213 |
| Weighted residual factors for all reflections included in the refinement | 0.1302 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181896 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/96. |
2239656.cif 2239656.hkl |
| 181315 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/96. |
2239656.cif 2239656.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239656.cif 2239656.hkl |
| 116406 | 2014-06-11 | cif/ hkl/ Adding structures of 2239656 via cif-deposit CGI script. |
2239656.cif 2239656.hkl |
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