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Information card for entry 4110135
Preview
Coordinates | 4110135.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H13 Br N2 O |
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Calculated formula | C14 H13 Br N2 O |
SMILES | Brc1ccc2[nH]c3[C@@H]4N(C(=O)CC4)CCc3c2c1 |
Title of publication | Enantioselective Pictet-Spengler-Type Cyclizations of Hydroxylactams: H-Bond Donor Catalysis by Anion Binding |
Authors of publication | Izzat T. Raheem; Parvinder S. Thiara; Emily A. Peterson; Eric N. Jacobsen |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2007 |
Journal volume | 129 |
Pages of publication | 13404 - 13405 |
a | 12.795 ± 0.004 Å |
b | 13.528 ± 0.005 Å |
c | 18.54 ± 0.006 Å |
α | 80.228 ± 0.005° |
β | 87.238 ± 0.006° |
γ | 89.993 ± 0.005° |
Cell volume | 3158.8 ± 1.8 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 5 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0797 |
Residual factor for significantly intense reflections | 0.0436 |
Weighted residual factors for significantly intense reflections | 0.0927 |
Weighted residual factors for all reflections included in the refinement | 0.1072 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.931 |
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/4110135.html
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