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Information card for entry 1556110
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Coordinates | 1556110.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (-)-(R)-3nb |
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Chemical name | (R)-(-)-6-Acetoxymethyl-2'-bromobiphenyl-2,3,4,5-tetrazcarboxylic acid tetramethyl ester |
Formula | C23 H21 Br O10 |
Calculated formula | C23 H21 Br O10 |
SMILES | Brc1c(cccc1)c1c(c(c(c(c1C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)COC(=O)C |
Title of publication | Enantioselective synthesis of axially chiral biaryls through rhodium-catalyzed complete intermolecular cross-cyclotrimerization of internal alkynes. |
Authors of publication | Tanaka, Ken; Nishida, Goushi; Ogino, Masakazu; Hirano, Masao; Noguchi, Keiichi |
Journal of publication | Organic letters |
Year of publication | 2005 |
Journal volume | 7 |
Journal issue | 14 |
Pages of publication | 3119 - 3121 |
a | 9.1105 ± 0.0007 Å |
b | 9.7461 ± 0.0009 Å |
c | 13.7386 ± 0.0011 Å |
α | 90° |
β | 101.569 ± 0.005° |
γ | 90° |
Cell volume | 1195.09 ± 0.17 Å3 |
Cell temperature | 295 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0305 |
Residual factor for significantly intense reflections | 0.0287 |
Weighted residual factors for significantly intense reflections | 0.078 |
Weighted residual factors for all reflections included in the refinement | 0.0798 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
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/1556110.html
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