Information card for entry 7721009

Structure parameters

• Formula: C33 H48 B Cl N2 O4
• Calculated formula: C33 H48 B Cl 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: 20.637 ± 0.0018 Å
• b: 10.0008 ± 0.0009 Å
• c: 16.7544 ± 0.0013 Å
• α: 90°
• β: 109.428 ± 0.003°
• γ: 90°
• Cell volume: 3261 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0496
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No