Information card for entry 7721006

Structure parameters

• Formula: C34 H49 B N2 O4
• Calculated formula: C34 H49 B N2 O4
• Title of publication: Reactions of saturated NHC•boranes with electron deficient alkyne and alkene. Borirane formation, their reactivities, and coupling of tetracyanoethylene
• Authors of publication: Amrutha, P. R.; KUNDU, GARGI; GANESH, VEMURI LAKSHMI; Gonnade, Rajesh G.; Gopakumar, Gopinadhanpillai; Sen, Sakya Singha
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 18.2979 ± 0.0008 Å
• b: 17.8752 ± 0.0008 Å
• c: 19.8239 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6484 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0584
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No