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Information card for entry 1514911
Preview
| Coordinates | 1514911.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H34 N3 O5 P |
|---|---|
| Calculated formula | C39 H34 N3 O5 P |
| SMILES | c1ccccc1P(c1ccccc1)(c1ccccc1)=C1[C@](C(=O)OC)([C@@]2(C(C1=O)(C#N)C#N)C(=O)N(c1c2cccc1)CCCC)OC.c1ccccc1P(c1ccccc1)(c1ccccc1)=C1[C@@](C(=O)OC)([C@]2(C(C1=O)(C#N)C#N)C(=O)N(c1c2cccc1)CCCC)OC |
| Title of publication | Convenient Synthesis of Triphenylphosphanylidene Spiro[cyclopentane-1,3'-indolines] and Spiro[cyclopent[2]ene-1,3'-indolines] via Three-Component Reactions. |
| Authors of publication | Han, Ying; Sheng, Yin-Jian; Yan, Chao-Guo |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 10 |
| Pages of publication | 2654 - 2657 |
| a | 11.5092 ± 0.0013 Å |
| b | 20.748 ± 0.002 Å |
| c | 18.3368 ± 0.0017 Å |
| α | 90° |
| β | 113.281 ± 0.006° |
| γ | 90° |
| Cell volume | 4022.2 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0704 |
| Residual factor for significantly intense reflections | 0.0549 |
| Weighted residual factors for significantly intense reflections | 0.1418 |
| Weighted residual factors for all reflections included in the refinement | 0.1499 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1514911.cif |
| 115920 | 2014-06-05 | cif/ Updating files of 1514910, 1514911, 1514912 Original log message: Adding full bibliography for 1514910--1514912.cif. |
1514911.cif |
| 110427 | 2014-04-19 | cif/ Adding structures of 1514910, 1514911, 1514912 via cif-deposit CGI script. |
1514911.cif |
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Users of the data should acknowledge the original authors of the
structural data.