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Information card for entry 4105034
Preview
Coordinates | 4105034.cif |
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Original paper (by DOI) | HTML |
Chemical name | (E)-1,2-bis(1,1,3,3,5,5,7,7-octaethyl-s-hydrindacen-4-yl)- 2-phenyl-phosphasilene |
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Formula | C62 H95 P Si |
Calculated formula | C62 H95 P Si |
SMILES | P(=[Si](c1c2C(CC(c2cc2C(CC(c12)(CC)CC)(CC)CC)(CC)CC)(CC)CC)c1ccccc1)c1c2C(CC(c2cc2C(CC(c12)(CC)CC)(CC)CC)(CC)CC)(CC)CC |
Title of publication | π-Conjugated Phosphasilenes Stabilized by Fused-Ring Bulky Groups |
Authors of publication | Baolin Li; Tsukasa Matsuo; Daisuke Hashizume; Hiroyuki Fueno; Kazuyoshi Tanaka; Kohei Tamao |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 13222 - 13223 |
a | 12.3099 ± 0.0019 Å |
b | 13.943 ± 0.002 Å |
c | 16.083 ± 0.003 Å |
α | 89.444 ± 0.004° |
β | 88.652 ± 0.005° |
γ | 89.4746 ± 0.001° |
Cell volume | 2759.4 ± 0.8 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 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 | 0.068 |
Residual factor for significantly intense reflections | 0.0521 |
Weighted residual factors for significantly intense reflections | 0.1249 |
Weighted residual factors for all reflections included in the refinement | 0.1363 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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