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Information card for entry 7115918
Preview
Coordinates | 7115918.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H18 B N7 O |
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Calculated formula | C30 H18 B N7 O |
SMILES | c12c3c(c4n1[B]1([n]5c(c6c(c5N=c5c7c(c(n15)=N2)cccc7)cccc6)=N4)Oc1ccc(cc1)N)cccc3 |
Title of publication | Subphthalocyanines: addressing water-solubility, nano-encapsulation, and activation for optical imaging of B16 melanoma cells |
Authors of publication | Yann Bernhard; Pascale Winckler; Remi Chassagnon; Philippe Richard; Elodie Gigot; Jean-Marie Perrier-Cornet; Richard A. Decreau |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 13975 |
a | 10.166 ± 0.0004 Å |
b | 10.7702 ± 0.0003 Å |
c | 11.7522 ± 0.0005 Å |
α | 86.6531 ± 0.0019° |
β | 78.2796 ± 0.0019° |
γ | 66.1999 ± 0.0018° |
Cell volume | 1152.37 ± 0.08 Å3 |
Cell temperature | 115 K |
Ambient diffraction temperature | 115 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 | 0.067 |
Residual factor for significantly intense reflections | 0.0486 |
Weighted residual factors for significantly intense reflections | 0.092 |
Weighted residual factors for all reflections included in the refinement | 0.1024 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
Diffraction radiation probe | x-ray |
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/7115918.html
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Users of the data should acknowledge the original authors of the
structural data.