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Information card for entry 4025912
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Coordinates | 4025912.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H27 N7 O8 |
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Calculated formula | C30 H28 N7 O8 |
Title of publication | Syntheses and Properties of Two-Dimensional, Dicationic Nonlinear Optical Chromophores Based on Pyrazinyl Cores |
Authors of publication | Benjamin J. Coe; John Fielden; Simon P. Foxon; Madeleine Helliwell; Inge Asselberghs; Koen Clays; Kurt De Mey; Bruce S. Brunschwig |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2010 |
Journal volume | 75 |
Pages of publication | 8550 - 8563 |
a | 7.4785 ± 0.0016 Å |
b | 33.557 ± 0.007 Å |
c | 10.974 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2754 ± 1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.1015 |
Residual factor for significantly intense reflections | 0.084 |
Weighted residual factors for significantly intense reflections | 0.1547 |
Weighted residual factors for all reflections included in the refinement | 0.1613 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.3 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4025912.html
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structural data.