Information card for entry 4062678

Structure parameters

• Formula: C22 H27 B F3 N7 O6 S W
• Calculated formula: C22 H27 B F3 N7 O6 S W
• SMILES: C(#[O])[W]12(C#[O])(C#[O])([N]#CCC)[n]3c(C)cc(C)[n]3[BH]([n]3c(cc(C)[n]13)C)[n]1c(cc(C)[n]21)C.C(S(=O)(=O)[O-])(F)(F)F
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 14.6582 ± 0.0007 Å
• b: 13.8294 ± 0.0006 Å
• c: 15.0128 ± 0.0007 Å
• α: 90°
• β: 106.63 ± 0.001°
• γ: 90°
• Cell volume: 2916 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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