Information card for entry 4126338

Structure parameters

• Formula: C31 H43 B N4
• Calculated formula: C31 H43 B N4
• SMILES: N1(C(N(c2c1cccc2)C)C(B1C2CCCC1CCC2)=C1N(C(C)C)c2ccccc2N1C(C)C)C
• Title of publication: Carbodicarbenes: Unexpected π-Accepting Ability during Re-activity with Small Molecules.
• Authors of publication: Chen, Wen-Ching; Shih, Wei-Chih; Jurca, Titel; Zhao, Lili; Andrada, Diego M.; Peng, Chun-Jung; Chang, Chun-Chi; Liu, Shu-Kai; Wang, Yi-Ping; Wen, Yuh-Sheng; Yap, Glenn P. A.; Hsu, Chao-Ping; Frenking, Gernot; Ong, Tiow-Gan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 15.8086 ± 0.0004 Å
• b: 15.8086 ± 0.0004 Å
• c: 11.7043 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2925.04 ± 0.13 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0468
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No