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Information card for entry 4029500
Preview
Coordinates | 4029500.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H44 N P |
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Calculated formula | C37 H44 N P |
SMILES | P(/c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)=C(/c1ccccc1)C#CC#Cc1ccc(N(C)C)cc1 |
Title of publication | C,C-Diacetylenic Phosphaalkenes as Heavy Diethynylethene Analogues |
Authors of publication | Öberg, Elisabet; Schäfer, Bernhard; Geng, Xue-Li; Pettersson, Jenny; Hu, Qi; Kritikos, Mikael; Rasmussen, Torben; Ott, Sascha |
Journal of publication | The Journal of Organic Chemistry |
Year of publication | 2009 |
Journal volume | 74 |
Journal issue | 24 |
Pages of publication | 9265 - 9273 |
a | 16.681 ± 0.0016 Å |
b | 21.154 ± 0.003 Å |
c | 19.294 ± 0.002 Å |
α | 90° |
β | 96.439 ± 0.012° |
γ | 90° |
Cell volume | 6765.3 ± 1.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.2569 |
Residual factor for significantly intense reflections | 0.0688 |
Weighted residual factors for significantly intense reflections | 0.1628 |
Weighted residual factors for all reflections included in the refinement | 0.2426 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.712 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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