Information card for entry 7102788

Structure parameters

• Formula: C36 H36 N2 O4
• Calculated formula: C36 H36 N2 O4
• SMILES: O(c1ccc(cc1)CN1CC[C@@](c2ccccc2)([C@]2(c3ccccc3)CCN(C2=O)Cc2ccc(OC)cc2)C1=O)C.O(c1ccc(cc1)CN1CC[C@](c2ccccc2)([C@@]2(c3ccccc3)CCN(C2=O)Cc2ccc(OC)cc2)C1=O)C
• Title of publication: Diastereoselective synthesis and spin-dependent photodecarbonylation of di(3-phenyl-2-pyrrolidinon-3-yl)ketones: synthesis of nonadjacent and adjacent stereogenic quaternary centers
• Authors of publication: Resendiz, Marino J. E.; Natarajan, Arunkumar; Garcia-Garibay, Miguel A.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2008
• Journal issue: 2
• Pages of publication: 193 - 195
• a: 18.277 ± 0.006 Å
• b: 10.86 ± 0.006 Å
• c: 16.533 ± 0.008 Å
• α: 90°
• β: 116.358 ± 0.007°
• γ: 90°
• Cell volume: 2940 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1085
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No