Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7226329
Preview
Coordinates | 7226329.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H32 N O7 S Se |
---|---|
Calculated formula | C29 H32 N O7 S Se |
Title of publication | Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention |
Authors of publication | Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P. |
Journal of publication | CrystEngComm |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 39 |
Pages of publication | 7506 |
a | 7.2613 ± 0.0003 Å |
b | 12.9355 ± 0.0007 Å |
c | 15.3053 ± 0.0009 Å |
α | 109.055 ± 0.005° |
β | 92.175 ± 0.004° |
γ | 96.618 ± 0.004° |
Cell volume | 1345.4 ± 0.13 Å3 |
Cell temperature | 120.15 K |
Ambient diffraction temperature | 120.15 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0546 |
Residual factor for significantly intense reflections | 0.0416 |
Weighted residual factors for significantly intense reflections | 0.0909 |
Weighted residual factors for all reflections included in the refinement | 0.0961 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7226329.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.