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Information card for entry 7055498
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Coordinates | 7055498.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | mono BODIPY of 1,4-di(2-pyridyl)aminophthalazine |
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Formula | C18 H15 B F2 N6 O |
Calculated formula | C18 H15 B F2 N6 O |
SMILES | O.c12c3c(c(n[n]1[B](n1c(cccc1)=N2)(F)F)Nc1ccccn1)cccc3 |
Title of publication | Blue highly fluorescent boron difluoride complexes based on phthalazine‒pyridine |
Authors of publication | Vuong, Thi Minh Ha; Weimmerskirch-Aubatin, Jennifer; Lohier, Jean-François; Bar, Nathalie; Boudin, Sophie; Labbé, Christophe; Gourbilleau, Fabrice; Nguyen, Hien; Dang, Tung Thanh; Villemin, Didier |
Journal of publication | New J. Chem. |
Year of publication | 2016 |
Journal volume | 40 |
Journal issue | 7 |
Pages of publication | 6070 |
a | 10.5846 ± 0.0004 Å |
b | 7.6098 ± 0.0003 Å |
c | 21.9235 ± 0.001 Å |
α | 90° |
β | 100.651 ± 0.002° |
γ | 90° |
Cell volume | 1735.44 ± 0.12 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0506 |
Residual factor for significantly intense reflections | 0.0388 |
Weighted residual factors for significantly intense reflections | 0.0996 |
Weighted residual factors for all reflections included in the refinement | 0.1076 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7055498.html
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