Information card for entry 4021006

Structure parameters

• Formula: C30 H26 O2
• Calculated formula: C30 H26 O2
• SMILES: O=C1[C@H]2[C@@]3([C@]2([C@]2(O)C(=C([C@]1([C@@H]2c1ccccc31)C)c1ccccc1)C)C)c1ccccc1.O=C1[C@@H]2[C@]3([C@@]2([C@@]2(O)C(=C([C@@]1([C@H]2c1ccccc31)C)c1ccccc1)C)C)c1ccccc1
• 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: 12.644 ± 0.001 Å
• b: 12.974 ± 0.001 Å
• c: 14.0462 ± 0.0009 Å
• α: 90°
• β: 99.205 ± 0.001°
• γ: 90°
• Cell volume: 2274.4 ± 0.3 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No