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Information card for entry 4029372
Preview
Coordinates | 4029372.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H26 N2 S2 |
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Calculated formula | C46 H26 N2 S2 |
Title of publication | [4 + 2] Cycloaddition Reaction To Approach Diazatwistpentacenes: Synthesis, Structures, Physical Properties, and Self-assembly. |
Authors of publication | Li, Junbo; Li, Peizhou; Wu, Jiansheng; Gao, Junkuo; Xiong, Wei-Wei; Zhang, Guodong; Zhao, Yanli; Zhang, Qichun |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 10 |
Pages of publication | 4438 - 4445 |
a | 10.3831 ± 0.0006 Å |
b | 13.0198 ± 0.0005 Å |
c | 13.2997 ± 0.0006 Å |
α | 81.765 ± 0.003° |
β | 78.203 ± 0.004° |
γ | 70.812 ± 0.004° |
Cell volume | 1656.55 ± 0.14 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0585 |
Residual factor for significantly intense reflections | 0.0467 |
Weighted residual factors for significantly intense reflections | 0.1391 |
Weighted residual factors for all reflections included in the refinement | 0.1528 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4029372.html
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