Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1501602
Preview
| Coordinates | 1501602.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | EB7721 |
|---|---|
| Formula | C14 H10 F N |
| Calculated formula | C14 H10 F N |
| Title of publication | Convenient syntheses of benzo-fluorinated dibenz[b,f]azepines: rearrangements of isatins, acridines, and indoles. |
| Authors of publication | Elliott, Emma-Claire; Bowkett, Elizabeth R.; Maggs, James L.; Bacsa, John; Park, B. Kevin; Regan, Sophie L.; O'Neill, Paul M; Stachulski, Andrew V. |
| Journal of publication | Organic letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 20 |
| Pages of publication | 5592 - 5595 |
| a | 8.2094 ± 0.0019 Å |
| b | 21.264 ± 0.005 Å |
| c | 5.9988 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1047.2 ± 0.4 Å3 |
| Cell temperature | 218 ± 2 K |
| Ambient diffraction temperature | 218 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0531 |
| Residual factor for significantly intense reflections | 0.0359 |
| Weighted residual factors for significantly intense reflections | 0.0923 |
| Weighted residual factors for all reflections included in the refinement | 0.0989 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| 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. |
1501602.cif |
| 114166 | 2014-05-22 | cif/ Updating files of 1501602 Original log message: Adding full bibliography for 1501602.cif. |
1501602.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501602.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501602.cif |
| 26829 | 2011-09-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501602 via cif-deposit CGI script. |
1501602.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.