Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4037501
Preview
Coordinates | 4037501.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H36 B2 Cl6 F20 N4 O2 |
---|---|
Calculated formula | C58 H36 B2 Cl6 F20 N4 O2 |
SMILES | [N]1([B](c2c(F)c(F)c(c(F)c2F)F)(Oc2c(C=1)ccc1c2ccc2C=[N]([B](c3c(c(F)c(F)c(F)c3F)F)(Oc12)c1c(F)c(F)c(F)c(F)c1F)c1ccc(cc1)N(CC)CC)c1c(F)c(F)c(F)c(F)c1F)c1ccc(cc1)N(CC)CC.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
Title of publication | Highly Fluorescent Red-Light Emitting Bis(boranils) Based on Naphthalene Backbone. |
Authors of publication | Urban, Mateusz; Durka, Krzysztof; Jankowski, Piotr; Serwatowski, Janusz; Luliński, Sergiusz |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 15 |
Pages of publication | 8234 - 8241 |
a | 10.8339 ± 0.001 Å |
b | 11.6677 ± 0.001 Å |
c | 12.8335 ± 0.0007 Å |
α | 68.481 ± 0.007° |
β | 87.828 ± 0.006° |
γ | 76.034 ± 0.008° |
Cell volume | 1462.2 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1076 |
Residual factor for significantly intense reflections | 0.0657 |
Weighted residual factors for significantly intense reflections | 0.1761 |
Weighted residual factors for all reflections included in the refinement | 0.2142 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4037501.html
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.