Information card for entry 7152830

Structure parameters

• Formula: C22 H24 Br N O2
• Calculated formula: C22 H24 Br N O2
• SMILES: Brc1ccc(cc1)C[C@@]1(N=C(c2ccccc2)CC1)C(=O)OC(C)(C)C
• Title of publication: Highly enantioselective synthesis of 5-phenyl-2-alkylprolines using phase-transfer catalytic alkylation.
• Authors of publication: Lee, Myungmo; Lee, Young-Ju; Park, Eunyoung; Park, Yohan; Ha, Min Woo; Hong, Suckchang; Lee, Yeon-Ju; Kim, Taek-Soo; Kim, Mi-Hyun; Park, Hyeung-Geun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 2039 - 2046
• a: 12.297 ± 0.003 Å
• b: 5.9174 ± 0.0009 Å
• c: 14.699 ± 0.003 Å
• α: 90°
• β: 105.678 ± 0.004°
• γ: 90°
• Cell volume: 1029.8 ± 0.4 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No