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Information card for entry 4116848
Preview
Coordinates | 4116848.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H23 N O2 |
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Calculated formula | C21 H23 N O2 |
SMILES | C1(C[C@@H]1[C@H]1C[C@@H]1C(=O)N(OC)C)(c1ccccc1)c1ccccc1.C1(C[C@H]1[C@@H]1C[C@H]1C(=O)N(OC)C)(c1ccccc1)c1ccccc1 |
Title of publication | Kinetics of Cyclopropylcarbinyl Radical Ring Openings Measured Directly by Laser Flash Photolysis |
Authors of publication | John H. Horner; Noriko Tanaka; Martin Newcomb |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 1998 |
Journal volume | 120 |
Pages of publication | 10379 - 10390 |
a | 11.1311 ± 0.0013 Å |
b | 12.983 ± 0.002 Å |
c | 14.162 ± 0.002 Å |
α | 67.597 ± 0.012° |
β | 88.428 ± 0.011° |
γ | 70.483 ± 0.01° |
Cell volume | 1771.7 ± 0.5 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0615 |
Residual factor for significantly intense reflections | 0.047 |
Weighted residual factors for all reflections | 0.1516 |
Weighted residual factors for significantly intense reflections | 0.1328 |
Goodness-of-fit parameter for all reflections | 1.074 |
Goodness-of-fit parameter for significantly intense reflections | 1.134 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4116848.html
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Users of the data should acknowledge the original authors of the
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