Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1519497
Preview
Coordinates | 1519497.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | HABIB-L |
---|---|
Formula | C46 H58 N4 O3 |
Calculated formula | C46 H58 N4 O3 |
SMILES | C(N(c1ccc2C3(N(CCN4COc5c(C(C)(C)C)cc(cc5C4)C(C)(C)C)C(=O)c4c3cccc4)c3c(Oc2c1)cc(N(CC)CC)cc3)CC)C |
Title of publication | A novel rhodamine-3,4-dihydro-2H-1,3-benzoxazine conjugate as a highly sensitive and selective chemosensor for Fe3+ions with cytoplasmic cell imaging possibilities |
Authors of publication | Molla, Habib Ali; Bhowmick, Rahul; Katarkar, Atul; Chaudhuri, Keya; Gangopadhyay, Sumana; Ali, Mahammad |
Journal of publication | Anal. Methods |
Year of publication | 2015 |
Journal volume | 7 |
Journal issue | 12 |
Pages of publication | 5149 |
a | 17.313 ± 0.003 Å |
b | 24.678 ± 0.004 Å |
c | 9.5642 ± 0.0017 Å |
α | 90° |
β | 105.015 ± 0.003° |
γ | 90° |
Cell volume | 3946.8 ± 1.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
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 | 0.172 |
Residual factor for significantly intense reflections | 0.0861 |
Weighted residual factors for significantly intense reflections | 0.24 |
Weighted residual factors for all reflections included in the refinement | 0.2329 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
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/1519497.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.