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Information card for entry 4021848
Preview
Coordinates | 4021848.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H25 N O3 |
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Calculated formula | C21 H25 N O3 |
SMILES | O1C2N(CCC2)c2c1c(c1CC3=C(Oc1c2C)CC(CC3=O)(C)C)C |
Title of publication | Photoactivation of Amino-Substituted 1,4-Benzoquinones for Release of Carboxylate and Phenolate Leaving Groups Using Visible Light |
Authors of publication | Yugang Chen; Mark G. Steinmetz |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2006 |
Journal volume | 71 |
Pages of publication | 6053 - 6060 |
a | 7.666 ± 0.0018 Å |
b | 9.906 ± 0.002 Å |
c | 11.42 ± 0.003 Å |
α | 80.496 ± 0.003° |
β | 82.929 ± 0.004° |
γ | 88.154 ± 0.004° |
Cell volume | 848.8 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.1015 |
Residual factor for significantly intense reflections | 0.0601 |
Weighted residual factors for significantly intense reflections | 0.1424 |
Weighted residual factors for all reflections included in the refinement | 0.1625 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4021848.html
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