Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7152500
Preview
| Coordinates | 7152500.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | BBN-picoline-dimer |
|---|---|
| Formula | C28 H40 B2 N2 |
| Calculated formula | C28 H40 B2 N2 |
| SMILES | c1cccc2C[B]3(C4CCCC3CCC4)[n]3ccccc3C[B]3(C4CCCC3CCC4)[n]12 |
| Title of publication | 1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide. |
| Authors of publication | Son, Jung-Ho; Hoefelmeyer, James D. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2012 |
| Journal volume | 10 |
| Journal issue | 33 |
| Pages of publication | 6656 - 6664 |
| a | 8.6278 ± 0.0007 Å |
| b | 11.1348 ± 0.0008 Å |
| c | 13.2544 ± 0.001 Å |
| α | 71.123 ± 0.001° |
| β | 89.295 ± 0.001° |
| γ | 87.433 ± 0.001° |
| Cell volume | 1203.64 ± 0.16 Å3 |
| Cell temperature | 247 ± 2 K |
| Ambient diffraction temperature | 247 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1029 |
| Residual factor for significantly intense reflections | 0.0511 |
| Weighted residual factors for significantly intense reflections | 0.1161 |
| Weighted residual factors for all reflections included in the refinement | 0.1372 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7152500.cif |
| 180311 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/25. |
7152500.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7152500.cif |
| 64404 | 2012-08-12 | cif/ Adding structures of 7152499, 7152500, 7152501, 7152502, 7152503, 7152504, 7152505, 7152506, 7152507, 7152508, 7152509, 7152510, 7152511, 7152512, 7152513, 7152514, 7152515, 7152516, 7152517, 7152518, 7152519 via cif-deposit CGI script. |
7152500.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.