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Information card for entry 4021896
Preview
Coordinates | 4021896.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Zn4{(R)-3,3'-bis(Ph2P=O)-BINOLate}(m4-O)](CH2Cl2)3 |
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Formula | C135 H96 Cl6 O13 P6 Zn4 |
Calculated formula | C135 H96 Cl6 O13 P6 Zn4 |
SMILES | [Zn]123[O]=P(c4c5c(c6c7c(cc8ccccc68)P(=[O][Zn](O7)Oc6c(c7c8c(cc9ccccc79)P(=[O][Zn](Oc7c(c9c%10c(cc%11ccccc9%11)P(=[O][Zn](O5)(O%10)O3)(c3ccccc3)c3ccccc3)c3ccccc3cc7P(=[O]1)(c1ccccc1)c1ccccc1)O8)(c1ccccc1)c1ccccc1)c1ccccc1cc6P(c1ccccc1)(=[O]2)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1c4)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl |
Title of publication | 3,3'-Diphosphoryl-1,1'-bi-2-naphthol-Zn(II) Complexes as Conjugate Acid-Base Catalysts for Enantioselective Dialkylzinc Addition to Aldehydes |
Authors of publication | Manabu Hatano; Takashi Miyamoto; Kazuaki Ishihara |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2006 |
Journal volume | 71 |
Pages of publication | 6474 - 6484 |
a | 15.803 ± 0.003 Å |
b | 22.033 ± 0.004 Å |
c | 19.949 ± 0.003 Å |
α | 90° |
β | 103.148 ± 0.004° |
γ | 90° |
Cell volume | 6763.9 ± 1.9 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1168 |
Residual factor for significantly intense reflections | 0.0709 |
Weighted residual factors for significantly intense reflections | 0.1812 |
Weighted residual factors for all reflections included in the refinement | 0.2066 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
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/4021896.html
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