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Information card for entry 2232605
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| Coordinates | 2232605.cif |
|---|---|
| Structure factors | 2232605.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1',6-Dimethyl-4'-phenyldispiro[1-benzopyran-3(4<i>H</i>),3'- pyrrolidine-2',3''-indoline]-2,2''-dione |
|---|---|
| Formula | C27 H24 N2 O3 |
| Calculated formula | C27 H24 N2 O3 |
| SMILES | O1c2c(C[C@]3(C1=O)[C@@]1(c4c(NC1=O)cccc4)N(C[C@@H]3c1ccccc1)C)cc(cc2)C.O1c2c(C[C@@]3(C1=O)[C@]1(c4c(NC1=O)cccc4)N(C[C@H]3c1ccccc1)C)cc(cc2)C |
| Title of publication | 1',6-Dimethyl-4'-phenyldispiro[1-benzopyran-3(4<i>H</i>),3'-pyrrolidine-2',3''-indoline]-2,2''-dione |
| Authors of publication | Lakshmanan, D.; Murugavel, S.; Kannan, D.; Bakthadoss, M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | o3516 - o3517 |
| a | 11.1019 ± 0.0005 Å |
| b | 11.174 ± 0.0004 Å |
| c | 17.8156 ± 0.0007 Å |
| α | 90° |
| β | 100.986 ± 0.002° |
| γ | 90° |
| Cell volume | 2169.57 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0742 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.1012 |
| Weighted residual factors for all reflections included in the refinement | 0.116 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181248 (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 2/23/26. |
2232605.cif 2232605.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. |
2232605.cif 2232605.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232605.cif 2232605.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. | 2232605.cif 2232605.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232605.cif 2232605.hkl |
| 31478 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232605 via cif-deposit CGI script. |
2232605.cif |
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Users of the data should acknowledge the original authors of the
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