Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7156869
Preview
Coordinates | 7156869.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C100 H35 O20 |
---|---|
Calculated formula | C111 H58 O10 |
Title of publication | Diversion of the Arbuzov reaction: alkylation of C-Cl instead of phosphonic ester formation on the fullerene cage. |
Authors of publication | Kraevaya, Ol'ga A.; Peregudov, Alexander S.; Troyanov, Sergey I.; Godovikov, Ivan; Fedorova, Natalya E.; Klimova, Regina R.; Sergeeva, Vasilina A.; Kameneva, Larisa V.; Ershova, Elizaveta S.; Martynenko, Vyacheslav M.; Claes, Sandra; Kushch, Alla A.; Kostyuk, Svetlana V.; Schols, Dominique; Shestakov, Alexander F.; Troshin, Pavel A. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2019 |
Journal volume | 17 |
Journal issue | 30 |
Pages of publication | 7155 - 7160 |
a | 21.893 ± 0.002 Å |
b | 16.15 ± 0.001 Å |
c | 20.433 ± 0.001 Å |
α | 90° |
β | 95.293 ± 0.005° |
γ | 90° |
Cell volume | 7193.7 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.2316 |
Residual factor for significantly intense reflections | 0.1818 |
Weighted residual factors for significantly intense reflections | 0.3751 |
Weighted residual factors for all reflections included in the refinement | 0.3908 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
Diffraction radiation wavelength | 0.895 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
225228 (current) | 2019-11-08 | cif/ Updating files of 7156869 Original log message: Adding full bibliography for 7156869.cif. |
7156869.cif |
215297 | 2019-05-18 | cif/ Adding structures of 7156869 via cif-deposit CGI script. |
7156869.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.