Information card for entry 4021015

Structure parameters

• Formula: C27 H28 O2
• Calculated formula: C27 H28 O2
• SMILES: O=C1[C@]2(c3c([C@@]4(C=C(C(=O)[C@H]2[C@@H]4[C@@H]1CCCC)C)c1ccccc1)cccc3)C.O=C1[C@@]2(c3c([C@]4(C=C(C(=O)[C@@H]2[C@H]4[C@H]1CCCC)C)c1ccccc1)cccc3)C
• Title of publication: Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids
• Authors of publication: Takuya Koizumi; Eiko Mochizuki; Ken Kokubo; Takumi Oshima
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 4577 - 4585
• a: 25.574 ± 0.003 Å
• b: 8.6902 ± 0.0007 Å
• c: 22.156 ± 0.002 Å
• α: 90°
• β: 118.871 ± 0.003°
• γ: 90°
• Cell volume: 4312 ± 0.7 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No