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Information card for entry 4114633
Preview
Coordinates | 4114633.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H27 N O3 |
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Calculated formula | C21 H27 N O3 |
SMILES | O1C[C@H](N(Cc2c(c3c(C1)cccc3)cc(OC)c(OC)c2)C)CC |
Title of publication | Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform |
Authors of publication | David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2002 |
Journal volume | 124 |
Pages of publication | 1354 - 1363 |
a | 8.4524 ± 0.0007 Å |
b | 8.0786 ± 0.0007 Å |
c | 13.8705 ± 0.0012 Å |
α | 90° |
β | 98.816 ± 0.002° |
γ | 90° |
Cell volume | 935.94 ± 0.14 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 2 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 | 0.0412 |
Residual factor for significantly intense reflections | 0.0403 |
Weighted residual factors for significantly intense reflections | 0.1094 |
Weighted residual factors for all reflections included in the refinement | 0.1107 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
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/4114633.html
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