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Information card for entry 1514912
Preview
| Coordinates | 1514912.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H38 F N2 O7 P |
|---|---|
| Calculated formula | C46 H38 F N2 O7 P |
| SMILES | c1ccccc1CN1C(=O)[C@@]2(c3c1ccc(c3)F)[C@](C#N)(C(=O)OCC)C(=C[C@H]2C(=O)OC)C(C(=O)OC)=P(c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1CN1C(=O)[C@]2(c3c1ccc(c3)F)[C@@](C#N)(C(=O)OCC)C(=C[C@@H]2C(=O)OC)C(C(=O)OC)=P(c1ccccc1)(c1ccccc1)c1ccccc1 |
| 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 | 11.8143 ± 0.0014 Å |
| b | 12.899 ± 0.0015 Å |
| c | 16.002 ± 0.0019 Å |
| α | 89.295 ± 0.003° |
| β | 75.627 ± 0.003° |
| γ | 66.226 ± 0.003° |
| Cell volume | 2151.2 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1486 |
| Residual factor for significantly intense reflections | 0.0716 |
| Weighted residual factors for significantly intense reflections | 0.1855 |
| Weighted residual factors for all reflections included in the refinement | 0.2104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
| 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. |
1514912.cif |
| 115920 | 2014-06-05 | cif/ Updating files of 1514910, 1514911, 1514912 Original log message: Adding full bibliography for 1514910--1514912.cif. |
1514912.cif |
| 110427 | 2014-04-19 | cif/ Adding structures of 1514910, 1514911, 1514912 via cif-deposit CGI script. |
1514912.cif |
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Users of the data should acknowledge the original authors of the
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