Information card for entry 7050799

Structure parameters

• Formula: C22 H24 B2 F4 N2 O2
• Calculated formula: C22 H24 B2 F4 N2 O2
• SMILES: [B]1(F)(OC2(C(C3(C2C(=[N](B(F)(F)O3)C)C)c2ccccc2)C(=[N]1C)C)c1ccccc1)F
• Title of publication: Photodimerizaion of Enaminoketo-natoboron Difluorides
• Authors of publication: Fujimoto, Miki; Hashimoto, Masao; Itoh, Kuniaki
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• a: 6.043 ± 0.002 Å
• b: 11.192 ± 0.002 Å
• c: 15.715 ± 0.002 Å
• α: 90°
• β: 99.76 ± 0.01°
• γ: 90°
• Cell volume: 1047.5 ± 0.3 ų
• Cell temperature: 294.2 K
• Ambient diffraction temperature: 294.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.0473
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No