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Information card for entry 4121987
Preview
Coordinates | 4121987.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=C1N2c3c(OC[C@H]4[C@@]1([C@@H](C2=O)C4)c1ccccc1)cccc3C |
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 | 10.5871 ± 0.0002 Å |
b | 7.2845 ± 0.0002 Å |
c | 10.7784 ± 0.0003 Å |
α | 90° |
β | 112.488 ± 0.002° |
γ | 90° |
Cell volume | 768.04 ± 0.04 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100.01 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0279 |
Residual factor for significantly intense reflections | 0.0263 |
Weighted residual factors for significantly intense reflections | 0.0649 |
Weighted residual factors for all reflections included in the refinement | 0.066 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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