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Information card for entry 4121983
Preview
Coordinates | 4121983.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H17 N O3 |
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Calculated formula | C16 H17 N O3 |
SMILES | O1c2cccc(c2N2C(=O)[C@@H]3[C@H]([C@H](C1)[C@@]3(C2=O)C)C)C |
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 | 10.0586 ± 0.0015 Å |
b | 7.4726 ± 0.0011 Å |
c | 10.4252 ± 0.0015 Å |
α | 90° |
β | 117.968 ± 0.005° |
γ | 90° |
Cell volume | 692.08 ± 0.18 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 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 | 0.0267 |
Residual factor for significantly intense reflections | 0.0264 |
Weighted residual factors for significantly intense reflections | 0.0681 |
Weighted residual factors for all reflections included in the refinement | 0.0683 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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