Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4519006
Preview
| Coordinates | 4519006.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Py-MBP |
|---|---|
| Formula | C72 H50 N4 O5 |
| Calculated formula | C72 H50 N4 O5 |
| Title of publication | Contrasting Photochromic and Acidochromic Behaviors of Pyridyl- and Pyrimidylethynylated Mono- and Bis-Benzopyrans. |
| Authors of publication | Mukhopadhyay, Arindam; Jindal, Swati; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha |
| Journal of publication | ACS omega |
| Year of publication | 2021 |
| Journal volume | 6 |
| Journal issue | 32 |
| Pages of publication | 21113 - 21124 |
| a | 21.622 ± 0.001 Å |
| b | 14.9773 ± 0.001 Å |
| c | 16.9507 ± 0.0009 Å |
| α | 90° |
| β | 107.267 ± 0.002° |
| γ | 90° |
| Cell volume | 5241.9 ± 0.5 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1004 |
| Residual factor for significantly intense reflections | 0.0517 |
| Weighted residual factors for significantly intense reflections | 0.1044 |
| Weighted residual factors for all reflections included in the refinement | 0.115 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268431 (current) | 2021-09-03 | cif/ Adding structures of 4519006 via cif-deposit CGI script. |
4519006.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.