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Information card for entry 1556202
Preview
Coordinates | 1556202.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C100 H150 Cl4 P4 |
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Calculated formula | C100 H150 Cl4 P4 |
SMILES | [C]1(P(Cc2c(c3c(cccc3)CP3[C](c4c(cc(cc4C(C)(C)C)C(C)(C)C)C(C)(C)C)P(C(C)(C)C)[C]3c3c(C(C)(C)C)cc(C(C)(C)C)cc3C(C)(C)C)cccc2)[C](P1C(C)(C)C)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C.C(Cl)Cl.ClCCl |
Title of publication | Through-space electrostatic interaction between the electron-donating 1,3-diphosphacyclobutane-2,4-diyl units. |
Authors of publication | Ito, Shigekazu; Kobayashi, Makoto; Mikami, Koichi |
Journal of publication | Organic letters |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 13 |
Pages of publication | 3404 - 3407 |
a | 22.2024 ± 0.001 Å |
b | 16.1149 ± 0.0007 Å |
c | 27.8962 ± 0.0014 Å |
α | 90° |
β | 103.284 ± 0.0016° |
γ | 90° |
Cell volume | 9713.9 ± 0.8 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.1773 |
Residual factor for significantly intense reflections | 0.0928 |
Weighted residual factors for significantly intense reflections | 0.2308 |
Weighted residual factors for all reflections included in the refinement | 0.2856 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.315 |
Diffraction radiation wavelength | 0.71075 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/1556202.html
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Users of the data should acknowledge the original authors of the
structural data.