Information card for entry 1573567

Structure parameters

• Formula: C27 H36 B N3 S
• Calculated formula: C27 H36 B N3 S
• Title of publication: Metathesis chemistry of inorganic cumulenes driven by B-O bond formation.
• Authors of publication: Tang, Jianqin; Hu, Chenyang; Crumpton, Agamemnon E.; Griffin, Liam P.; Goicoechea, Jose M.; Aldridge, Simon
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 5
• Pages of publication: 2231 - 2237
• a: 16.90996 ± 0.00006 Å
• b: 9.55705 ± 0.00003 Å
• c: 33.35081 ± 0.0001 Å
• α: 90°
• β: 94.9584 ± 0.0003°
• γ: 90°
• Cell volume: 5369.63 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No