Information card for entry 7123365

Structure parameters

• Formula: C37 H39 B F4 N O3 P
• Calculated formula: C37 H31 B F4 N O3 P
• Title of publication: Facile o-Quinodimethane Formation from Benzocyclobutenes Triggered by Staudinger Reaction at Ambient Temperature
• Authors of publication: Matsuya, Yuji; Kohyama, Aki; Koresawa, Eri; Tsuge, Kiyoshi
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 7.9308 ± 0.00014 Å
• b: 13.1455 ± 0.0002 Å
• c: 17.425 ± 0.0003 Å
• α: 76.619 ± 0.005°
• β: 88.302 ± 0.006°
• γ: 73.541 ± 0.005°
• Cell volume: 1693.64 ± 0.08 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No