Information card for entry 4021005

Structure parameters

• Formula: C30 H26 O2
• Calculated formula: C30 H26 O2
• SMILES: O=C1[C@@]2([C@@H](C2(c2ccccc2)c2ccccc2)C(=O)[C@]2([C@@H]1C(=C2c1ccccc1)C)C)C.O=C1[C@]2([C@H](C2(c2ccccc2)c2ccccc2)C(=O)[C@@]2([C@H]1C(=C2c1ccccc1)C)C)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: 13.3309 ± 0.0001 Å
• b: 9.4105 ± 0.0001 Å
• c: 18.7703 ± 0.0004 Å
• α: 90°
• β: 104.229 ± 0.004°
• γ: 90°
• Cell volume: 2282.51 ± 0.07 ų
• Cell temperature: 213.2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No