Information card for entry 4020569

Structure parameters

• Common name: jrc1281m
• Formula: C24 H22 F N O5
• Calculated formula: C24 H22 F N O5
• SMILES: C1(=O)[C@H]2[C@@H](C3(C1)O[C@H]([C@H](c1ccccc1)O3)c1ccccc1)[C@@]2(C(=O)OC)F.C(#N)C
• Title of publication: Stereoselective Syntheses of Highly Functionalized Bicyclo[3.1.0]hexanes: A General Methodology for the Synthesis of Potent and Selective mGluR2/3 Agonists
• Authors of publication: Lushi Tan; Nobuyoshi Yasuda; Naoki Yoshikawa; Frederick W. Hartner; Kan Kaung Eng; William R. Leonard; Fuh-Rong Tsay; Ralph P. Volante; Richard D. Tillyer
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 8027 - 8034
• a: 10.014 ± 0.008 Å
• b: 8.875 ± 0.007 Å
• c: 12.341 ± 0.009 Å
• α: 90°
• β: 90.569 ± 0.013°
• γ: 90°
• Cell volume: 1096.8 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No