Information card for entry 7128239

Structure parameters

• Chemical name: 2-Benzyl-6-(2-chloro-phenyl)-4-methyl-4-styrl-tetrahydro- pyrrolo[3,4-c]pyrrole-1,3-dione
• Formula: C28 H25 Cl N2 O2
• Calculated formula: C28 H25 Cl N2 O2
• SMILES: Clc1c([C@H]2N[C@]([C@H]3C(=O)N(C(=O)[C@@H]23)Cc2ccccc2)(/C=C/c2ccccc2)C)cccc1.Clc1c([C@@H]2N[C@@]([C@@H]3C(=O)N(C(=O)[C@H]23)Cc2ccccc2)(/C=C/c2ccccc2)C)cccc1
• Title of publication: Diastereodivergent synthesis of 4-oxocyclohexanecarbaldehydes by using the modularly designed organocatalysts upon switching on their iminium catalysis.
• Authors of publication: Bora, Pranjal; Jakkampudi, Satish; Parella, Ramarao; Sakkani, Nagaraju; Dai, Qipu; Bihani, Manisha; Arman, Hadi D.; Zhao, John C.-G.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 43
• Pages of publication: 5334 - 5337
• a: 22.889 ± 0.003 Å
• b: 38.418 ± 0.006 Å
• c: 10.5749 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9299 ± 2 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No