Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7125568
Preview
Coordinates | 7125568.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H31 Cl Cu F3 N4 O4.5 S |
---|---|
Calculated formula | C27 H28 Cl Cu F3 N4 O4.5 S |
Title of publication | 'On-off-on' fluorescent indicators of pH windows based on three separated components. |
Authors of publication | Pallavicini, Piersandro; Amendola, Valeria; Massera, Chiara; Mundum, Etienne; Taglietti, Angelo |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2002 |
Journal issue | 20 |
Pages of publication | 2452 - 2453 |
a | 29.723 ± 0.005 Å |
b | 8.506 ± 0.005 Å |
c | 11.882 ± 0.005 Å |
α | 90 ± 0.005° |
β | 94.335 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 2995 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 8 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.1326 |
Residual factor for significantly intense reflections | 0.0461 |
Weighted residual factors for significantly intense reflections | 0.0968 |
Weighted residual factors for all reflections included in the refinement | 0.1258 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.584 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
244046 (current) | 2019-11-28 | cif/ Adding structures of 7125568 via cif-deposit CGI script. |
7125568.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.