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Information card for entry 4021341
Preview
Coordinates | 4021341.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H44 N4 O8 |
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Calculated formula | C42 H44 N4 O8 |
SMILES | [C@@H]12[C@H]([C@@H]([C@@H](CC1)C2)OC(=O)Nc1ccccc1)OC(=O)Nc1ccccc1.[C@@H]12[C@@H]([C@H]([C@@H](CC1)C2)OC(=O)Nc1ccccc1)OC(=O)Nc1ccccc1 |
Title of publication | Synthesis and Characterization of Norbornanediol Isomers and Their Fluorinated Analogues |
Authors of publication | Scott M. Grayson; Brian K. Long; Shiro Kusomoto; Brian P. Osborn; Ryan P. Callahan; Charles R. Chambers; C. Grant Willson |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2006 |
Journal volume | 71 |
Pages of publication | 341 - 344 |
a | 36.105 ± 0.002 Å |
b | 9.575 ± 0.0006 Å |
c | 24.62 ± 0.002 Å |
α | 90° |
β | 118.32 ± 0.003° |
γ | 90° |
Cell volume | 7492.6 ± 0.9 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1912 |
Residual factor for significantly intense reflections | 0.0733 |
Weighted residual factors for significantly intense reflections | 0.1092 |
Weighted residual factors for all reflections included in the refinement | 0.1375 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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