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Information card for entry 4121977
Preview
Coordinates | 4121977.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H17 N O3 |
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Calculated formula | C20 H17 N O3 |
SMILES | O(CC=C)c1c(N2C(=O)C(=CC2=O)c2ccccc2)c(C)ccc1 |
Title of publication | Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis. |
Authors of publication | Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 24 |
Pages of publication | 8729 - 8737 |
a | 10.9776 ± 0.0003 Å |
b | 9.9868 ± 0.0003 Å |
c | 28.5806 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3133.32 ± 0.15 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0339 |
Residual factor for significantly intense reflections | 0.0324 |
Weighted residual factors for significantly intense reflections | 0.0803 |
Weighted residual factors for all reflections included in the refinement | 0.0814 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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