Information card for entry 4020234

Structure parameters

• Common name: fluorobenzoyl chloride * GaCl3
• Formula: C7 H4 Cl4 F Ga O
• Calculated formula: C7 H4 Cl4 F Ga O
• SMILES: ClC(c1ccc(cc1)F)=[O][Ga](Cl)(Cl)Cl
• Title of publication: Isolation, X-ray Structures, and Electronic Spectra of Reactive Intermediates in Friedel-Crafts Acylations
• Authors of publication: M.G. Davlieva; S.V. Lindeman; I.S. Neretin; J.K. Kochi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 4013 - 4021
• a: 8.8905 ± 0.0007 Å
• b: 7.0693 ± 0.0006 Å
• c: 9.3375 ± 0.0007 Å
• α: 90°
• β: 98.594 ± 0.002°
• γ: 90°
• Cell volume: 580.27 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No