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Information card for entry 7031770
Preview
Coordinates | 7031770.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C92 H112 O12 W2 |
---|---|
Calculated formula | C92 H112 O12 W2 |
SMILES | c12c3cc(cc1Cc1c4c(cc(c1)C(C)(C)C)Cc1c5c(cc(c1)C(C)(C)C)Cc1c(c(cc(c1)C(C)(C)C)Cc1c6c(cc(c1)C(C)(C)C)Cc1c7c(cc(c1)C(C)(C)C)Cc1c8c(cc(c1)C(C)(C)C)Cc1c(c(cc(c1)C(C)(C)C)C3)O[W]1(O6)(O7)(O8)OCCO1)O[W]1(O2)(O4)(O5)OCCO1)C(C)(C)C |
Title of publication | Ethyleneglycol tungsten complexes of calix[6 and 8]arenes: synthesis, characterization and ROP of ε-caprolactone. |
Authors of publication | Li, Yuanzhuo; Zhao, Ke-Qing; Feng, Chun; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Redshaw, Carl |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 36 |
Pages of publication | 13612 - 13619 |
a | 12.2109 ± 0.0002 Å |
b | 34.2259 ± 0.0005 Å |
c | 20.5984 ± 0.0003 Å |
α | 90° |
β | 92.226 ± 0.001° |
γ | 90° |
Cell volume | 8602.2 ± 0.2 Å3 |
Cell temperature | 135 ± 2 K |
Ambient diffraction temperature | 135 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0527 |
Residual factor for significantly intense reflections | 0.0387 |
Weighted residual factors for significantly intense reflections | 0.0738 |
Weighted residual factors for all reflections included in the refinement | 0.0779 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7031770.html
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