Information card for entry 4121986

Structure parameters

• Formula: C20 H17 N O3
• Calculated formula: C20 H17 N O3
• SMILES: O=C1N2C(=O)[C@H]3[C@]1(c1ccccc1)[C@H](C3)COc1c2c(ccc1)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: 10.5863 ± 0.0005 Å
• b: 7.2819 ± 0.0003 Å
• c: 10.7905 ± 0.0005 Å
• α: 90°
• β: 112.547 ± 0.002°
• γ: 90°
• Cell volume: 768.24 ± 0.06 ų
• 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: 0.0249
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No