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Information card for entry 7111689
Preview
Coordinates | 7111689.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H10 B F2 N3 |
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Calculated formula | C12 H10 B F2 N3 |
SMILES | c1ccc2C(=c3ccc[n]3[B](n12)(F)F)NCC#C |
Title of publication | 8-PropargylaminoBODIPY: unprecedented blue-emitting pyrromethene dye. Synthesis, photophysics and laser properties |
Authors of publication | Gómez-Durán, C. F. Azael; García-Moreno, Inmaculada; Costela, Angel; Martin, Virginia; Sastre, Roberto; Bañuelos, Jorge; López Arbeloa, Fernando; López Arbeloa, Iñigo; Peña-Cabrera, Eduardo |
Journal of publication | Chemical Communications |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 28 |
Pages of publication | 5103 - 5105 |
a | 20.0082 ± 0.0011 Å |
b | 10.2344 ± 0.0006 Å |
c | 21.5661 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4416.1 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0755 |
Residual factor for significantly intense reflections | 0.0372 |
Weighted residual factors for significantly intense reflections | 0.0638 |
Weighted residual factors for all reflections included in the refinement | 0.0679 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.792 |
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/7111689.html
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