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Information card for entry 2232318
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| Coordinates | 2232318.cif |
|---|---|
| Structure factors | 2232318.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Common name | 1,3,3-tribenzylindolin-2-one |
|---|---|
| Chemical name | 1,3,3-Tribenzylindolin-2-one |
| Formula | C29 H25 N O |
| Calculated formula | C29 H25 N O |
| SMILES | O=C1N(c2c(cccc2)C1(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1 |
| Title of publication | 1,3,3-Tribenzylindolin-2-one |
| Authors of publication | Liu, Yufang; Liu, Bo; Dong, Zhenming; Jin, Shuo |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | o2998 |
| a | 8.3387 ± 0.0009 Å |
| b | 9.6266 ± 0.001 Å |
| c | 13.9398 ± 0.0014 Å |
| α | 90° |
| β | 99.442 ± 0.002° |
| γ | 90° |
| Cell volume | 1103.8 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0424 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.0719 |
| Weighted residual factors for all reflections included in the refinement | 0.0762 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2232318.cif 2232318.hkl |
| 181245 | 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 2/23/23. |
2232318.cif 2232318.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. |
2232318.cif 2232318.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232318.cif 2232318.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. | 2232318.cif 2232318.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232318.cif 2232318.hkl |
| 30973 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232318 via cif-deposit CGI script. |
2232318.cif |
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Users of the data should acknowledge the original authors of the
structural data.