Information card for entry 4020509

Structure parameters

• Formula: C30 H22 Cl I O
• Calculated formula: C30 H22 Cl I O
• SMILES: I\C(=C1/OC(C(=C1c1ccccc1)c1ccccc1)(c1ccccc1Cl)C)c1ccccc1
• Title of publication: A Facile Zr-Mediated Approach to (Z)-Enynols and Its Application to Regio- and Stereoselective Synthesis of Fully Substituted Dihydrofurans
• Authors of publication: Yuanhong Liu; Feijie Song; Liqing Cong
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 6999 - 7002
• a: 17.464 ± 0.0011 Å
• b: 12.6256 ± 0.0008 Å
• c: 22.5394 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4969.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No