Information card for entry 4020298

Structure parameters

• Formula: C22 H23 Br O4
• Calculated formula: C22 H23 Br O4
• SMILES: Brc1ccc(C(=O)O[C@@H]2[C@@]3([C@@H](O[C@@H](OC3)c3ccccc3)CCC2)C)cc1
• Authors of publication: Hideaki Watanabe; Mitsuhiro Iwamoto; Masahisa Nakada
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 4652 - 4658
• a: 6.277 ± 0.005 Å
• b: 10.693 ± 0.009 Å
• c: 14.43 ± 0.02 Å
• α: 89.34 ± 0.04°
• β: 79.55 ± 0.06°
• γ: 89.99 ± 0.04°
• Cell volume: 952.6 ± 0.2 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 4
• 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