Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1551608
Preview
Coordinates | 1551608.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H8 F N O4 |
---|---|
Calculated formula | C10 H8 F N O4 |
SMILES | c1c(c(cc2c1OCO2)F)/C=C(C)/N(=O)=O |
Title of publication | Crystal Structure of (<i>E</i>)-1-(3,4-Methylenedioxy-6-fluorophenyl)-2-nitropropene |
Authors of publication | GUILLON, Jean; RONGA, Luisa; MARCHIVIE, Mathieu; MOREAU, Stéphane |
Journal of publication | X-ray Structure Analysis Online |
Year of publication | 2016 |
Journal volume | 32 |
Journal issue | 0 |
Pages of publication | 23 |
a | 6.716 ± 0.001 Å |
b | 8.323 ± 0.002 Å |
c | 9.453 ± 0.002 Å |
α | 82.75 ± 0.02° |
β | 86.17 ± 0.01° |
γ | 68.75 ± 0.01° |
Cell volume | 488.41 ± 0.18 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0514 |
Residual factor for significantly intense reflections | 0.0439 |
Weighted residual factors for significantly intense reflections | 0.1255 |
Weighted residual factors for all reflections included in the refinement | 0.134 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation wavelength | 1.5418 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/1551608.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.