Information card for entry 7711609

Structure parameters

• Formula: C25 H17 B F3 N
• Calculated formula: C25 H17 B F3 N
• Title of publication: Synthesis and stereochemistry of chiral aza-boraspirobifluorenes with tetrahedral boron-stereogenic centers
• Authors of publication: Yoshigoe, Yusuke; Hashizume, Keiichiro; Saito, Shinichi
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 8.5923 ± 0.0005 Å
• b: 10.4752 ± 0.0006 Å
• c: 21.9452 ± 0.0012 Å
• α: 90°
• β: 91.678 ± 0.002°
• γ: 90°
• Cell volume: 1974.35 ± 0.19 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No