Information card for entry 4021012

Structure parameters

• Formula: C30 H26 O2
• Calculated formula: C30 H26 O2
• SMILES: O=C1C(=C([C@H]2C(=O)[C@@H](C=C(c3ccccc3[C@@]12C)c1ccccc1)C)C)c1ccccc1.O=C1C(=C([C@@H]2C(=O)[C@H](C=C(c3ccccc3[C@]12C)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: 15.2418 ± 0.0008 Å
• b: 8.2652 ± 0.0004 Å
• c: 17.7642 ± 0.0009 Å
• α: 90°
• β: 94.232 ± 0.001°
• γ: 90°
• Cell volume: 2231.8 ± 0.2 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