Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1518602
Preview
| Coordinates | 1518602.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H26 B F21 P2 |
|---|---|
| Calculated formula | C58 H26 B F21 P2 |
| SMILES | [P+]1(P(F)(c2ccccc2)(c2cccc3cccc1c23)c1ccccc1)(c1ccccc1)c1ccccc1.Fc1c(F)c(F)c(c(F)c1F)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F |
| Title of publication | Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines |
| Authors of publication | Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 3 |
| Pages of publication | 2016 |
| a | 8.4256 ± 0.0012 Å |
| b | 21.123 ± 0.003 Å |
| c | 13.804 ± 0.002 Å |
| α | 90° |
| β | 95.055 ± 0.007° |
| γ | 90° |
| Cell volume | 2447.2 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1033 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.0713 |
| Weighted residual factors for all reflections included in the refinement | 0.0852 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.983 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 1518598 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287519 (current) | 2023-11-10 | cod/ (saulius@tasmanijos-velnias) Marking up COD duplicates based on automatic matching in: Path: outputs/cod-new-duplicates-expanded.tsv Name: cod-new-duplicates-expanded.tsv Working Copy Root Path: /home/saulius/struct/COD-crude-data URL: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Relative URL: ^/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Repository Root: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data Repository UUID: f03e6fd5-de02-4a89-aa47-d94ad8425ebd Revision: 7431 Node Kind: file Schedule: normal Last Changed Author: saulius Last Changed Rev: 7431 Last Changed Date: 2023-11-10 16:55:42 +0200 (Fri, 10 Nov 2023) Text Last Updated: 2023-11-10 16:31:20 +0200 (Fri, 10 Nov 2023) Checksum: 0c965281867bf38581b3e32df20963a23950bd46 |
1518602.cif |
| 176729 | 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. |
1518602.cif |
| 133108 | 2015-03-06 | cif/ Updating files of 1518596, 1518597, 1518598, 1518599, 1518600, 1518601, 1518602, 1518603 Original log message: Adding full bibliography for 1518596--1518603.cif. |
1518602.cif |
| 130150 | 2015-01-28 | cif/ Adding structures of 1518596, 1518597, 1518598, 1518599, 1518600, 1518601, 1518602, 1518603 via cif-deposit CGI script. |
1518602.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.