Information card for entry 7123364

Structure parameters

• Formula: C30 H33 B F4 N O4 P
• Calculated formula: C30 H31 B F4 N O4 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: 10.49949 ± 0.00019 Å
• b: 15.8323 ± 0.0003 Å
• c: 35.2366 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5857.42 ± 0.18 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1841
• Weighted residual factors for all reflections included in the refinement: 0.2004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No