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Information card for entry 2230816
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| Coordinates | 2230816.cif |
|---|---|
| Structure factors | 2230816.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1''-Benzyl-1'-methyl-4'-(naphthalen-1-yl)naphthalene-2-spiro-3'-pyrrolidine- 2'-spiro-3''-indoline-1,2''-dione |
|---|---|
| Formula | C38 H32 N2 O2 |
| Calculated formula | C38 H32 N2 O2 |
| SMILES | O=C1N(c2ccccc2[C@@]21N(C[C@@H]([C@@]12CCc2ccccc2C1=O)c1c2ccccc2ccc1)C)Cc1ccccc1.O=C1N(c2ccccc2[C@]21N(C[C@H]([C@]12CCc2ccccc2C1=O)c1c2ccccc2ccc1)C)Cc1ccccc1 |
| Title of publication | 1''-Benzyl-1'-methyl-4'-(naphthalen-1-yl)naphthalene-2-spiro-3'-pyrrolidine-2'-spiro-3''-indoline-1,2''-dione |
| Authors of publication | Selvanayagam, S.; Sridhar, B.; Saravanan, P.; Raghunathan, R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 7 |
| Pages of publication | o1678 - o1679 |
| a | 12.6084 ± 0.0006 Å |
| b | 14.3751 ± 0.0007 Å |
| c | 17.4021 ± 0.0009 Å |
| α | 90° |
| β | 110.057 ± 0.001° |
| γ | 90° |
| Cell volume | 2962.8 ± 0.3 Å3 |
| Cell temperature | 292 ± 2 K |
| Ambient diffraction temperature | 292 ± 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 | 0.0992 |
| Residual factor for significantly intense reflections | 0.0648 |
| Weighted residual factors for significantly intense reflections | 0.1373 |
| Weighted residual factors for all reflections included in the refinement | 0.1491 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181230 (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 2/23/08. |
2230816.cif 2230816.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. |
2230816.cif 2230816.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230816.cif 2230816.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. | 2230816.cif 2230816.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230816.cif 2230816.hkl |
| 23417 | 2011-08-08 | hkl/ Adding Fobs data for the recently deposited coordinates from IUCr. |
2230816.cif 2230816.hkl |
| 23134 | 2011-08-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230816 via cif-deposit CGI script. |
2230816.cif |
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Users of the data should acknowledge the original authors of the
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