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Information card for entry 2233256
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| Coordinates | 2233256.cif |
|---|---|
| Structure factors | 2233256.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3'-[Hydroxy(4-oxo-4<i>H</i>-chromen-3-yl)methyl]-2-oxospiro[indoline-3,2'- pyrrolidine]-3'-carbonitrile |
|---|---|
| Formula | C23 H19 N3 O4 |
| Calculated formula | C23 H19 N3 O4 |
| SMILES | c12ccccc1occ(c2=O)[C@@H]([C@@]1(C#N)CCN(C)[C@]21C(=O)Nc1c2cccc1)O.c12ccccc1occ(c2=O)[C@H]([C@]1(C#N)CCN(C)[C@@]21C(=O)Nc1c2cccc1)O |
| Title of publication | 3'-[Hydroxy(4-oxo-4<i>H</i>-chromen-3-yl)methyl]-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carbonitrile |
| Authors of publication | Govindan, E.; SakthiMurugesan, K.; SubbiahPandi, A.; Yuvaraj, P.; Reddy, Boreddy S. R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | o136 - o137 |
| a | 9.3483 ± 0.0007 Å |
| b | 10.2256 ± 0.0009 Å |
| c | 10.908 ± 0.0009 Å |
| α | 71.832 ± 0.005° |
| β | 88.309 ± 0.005° |
| γ | 78.248 ± 0.005° |
| Cell volume | 969.32 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0659 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.0903 |
| Weighted residual factors for all reflections included in the refinement | 0.1061 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181254 (current) | 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 2/23/32. |
2233256.cif 2233256.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. |
2233256.cif 2233256.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233256.cif 2233256.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2233256.cif 2233256.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233256.cif 2233256.hkl |
| 32317 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233256 via cif-deposit CGI script. |
2233256.cif |
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Users of the data should acknowledge the original authors of the
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