Information card for entry 4020800

Structure parameters

• Formula: C18 H15 Br O3
• Calculated formula: C18 H15 Br O3
• SMILES: Brc1ccc([C@H]2OC[C@@H]3[C@H]2C(=O)O[C@H]3c2ccccc2)cc1.Brc1ccc([C@@H]2OC[C@H]3[C@@H]2C(=O)O[C@@H]3c2ccccc2)cc1
• Title of publication: A Versatile Stereoselective Synthesis of endo,exo-Furofuranones: Application to the Enantioselective Synthesis of Furofuran Lignans
• Authors of publication: Nigel A. Swain; Richard C. D. Brown; Gordon Bruton
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 122 - 129
• a: 10.3321 ± 0.0002 Å
• b: 13.48 ± 0.0003 Å
• c: 11.4618 ± 0.0002 Å
• α: 90°
• β: 107.376 ± 0.002°
• γ: 90°
• Cell volume: 1523.51 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No