Information card for entry 4031897

Structure parameters

• Formula: C25 H23 N O3
• Calculated formula: C25 H23 N O3
• SMILES: O=C1Oc2c(C([C@@]1(NC(=O)c1ccc(cc1)C)c1ccccc1)(C)C)cccc2
• Title of publication: Merging Chiral Brønsted Acid/Base Catalysis: An Enantioselective [4 + 2] Cycloaddition of o-Hydroxystyrenes with Azlactones.
• Authors of publication: Zhang, Yu-Chen; Zhu, Qiu-Ning; Yang, Xue; Zhou, Lu-Jia; Shi, Feng
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 4
• Pages of publication: 1681 - 1688
• a: 6.4902 ± 0.0001 Å
• b: 16.0682 ± 0.0002 Å
• c: 19.2321 ± 0.0003 Å
• α: 90°
• β: 91.03 ± 0.001°
• γ: 90°
• Cell volume: 2005.31 ± 0.05 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 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: 0.0465
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No