Information card for entry 4020329

Structure parameters

• Formula: C28 H28 O5
• Calculated formula: C28 H28 O5
• SMILES: O[C@@]1([C@@](O)(c2cccc3cccc1c23)c1ccc(OC)cc1)c1ccc(OC)cc1.OCC.O[C@]1([C@](O)(c2cccc3cccc1c23)c1ccc(OC)cc1)c1ccc(OC)cc1.OCC
• Authors of publication: Takanori Suzuki; Koji Ichioka; Hiroki Higuchi; Hidetoshi Kawai; Kenshu Fujiwara; Masakazu Ohkita; Takashi Tsuji; Yasutake Takahashi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 5592 - 5598
• a: 11.072 ± 0.005 Å
• b: 8.503 ± 0.004 Å
• c: 24.75 ± 0.01 Å
• α: 90°
• β: 102.306 ± 0.007°
• γ: 90°
• Cell volume: 2276 ± 1 ų
• Cell temperature: 153.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No