Information card for entry 4020438

Structure parameters

• Common name: compound 6b
• Formula: C29 H20 Cl F N2 O2
• Calculated formula: C29 H20 Cl F N2 O2
• SMILES: Clc1ccc(c2c(nn(c2COc2ccccc2C(=O)F)c2ccccc2)c2ccccc2)cc1
• Title of publication: Electrolytic Partial Fluorination of Organic Compounds. Anodic Fluorination of Spiropyrazoline-5,3'-chroman-4-ones and Thiochromanone Analogues. A Route to Aroyl Fluoride Derivatives
• Authors of publication: Kamal M. Dawood; Toshio Fuchigami
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 7537 - 7541
• a: 16.1589 ± 0.0007 Å
• b: 8.0433 ± 0.0002 Å
• c: 18.0403 ± 0.0007 Å
• α: 90°
• β: 93.164 ± 0.001°
• γ: 90°
• Cell volume: 2341.14 ± 0.15 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• 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