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Information card for entry 4080863
Preview
Coordinates | 4080863.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H38 B P |
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Calculated formula | C40 H38 B P |
SMILES | [P]1([B](c2cccc3c2c1ccc3)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(c1ccccc1)c1ccccc1 |
Title of publication | Highly Congested Donor‒Acceptor P‒B Compound: Synthesis and Properties of a BMes2- and a PPh2-Functionalized 1,8-Naphthalene |
Authors of publication | Li, Yu-Fei; Kang, Youngjin; Ko, Soo-Byung; Rao, Yingli; Sauriol, Francoise; Wang, Suning |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 10 |
Pages of publication | 3063 |
a | 10.0715 ± 0.0002 Å |
b | 27.7173 ± 0.0004 Å |
c | 11.3586 ± 0.0002 Å |
α | 90° |
β | 95.084 ± 0.001° |
γ | 90° |
Cell volume | 3158.33 ± 0.1 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0556 |
Residual factor for significantly intense reflections | 0.0418 |
Weighted residual factors for significantly intense reflections | 0.104 |
Weighted residual factors for all reflections included in the refinement | 0.1115 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
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/4080863.html
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