Information card for entry 7711607

Structure parameters

• Formula: C49.85 H39.53 B2 N2 O2.03
• Calculated formula: C49.846 H39.538 B2 N2 O2.034
• 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: 12.1041 ± 0.0015 Å
• b: 8.6562 ± 0.0009 Å
• c: 36.508 ± 0.004 Å
• α: 90°
• β: 92.703 ± 0.004°
• γ: 90°
• Cell volume: 3820.9 ± 0.7 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: 0.0935
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1812
• Weighted residual factors for all reflections included in the refinement: 0.1943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No