Information card for entry 7102279

Structure parameters

• Formula: C16 H52 B8 N12
• Calculated formula: C16 H52 B8 N12
• SMILES: B1(NB(B(NB(B(NB(B(NB1N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C
• Title of publication: A new cyclic borazine species B(8)(NH)(4)(NMe(2))(8) containing a twelve-membered B(8)N(4) ring.
• Authors of publication: Bramham, George; Charmant, Jonathan P H; Cook, Alistair J R; Norman, Nicholas C; Russell, Christopher A; Saithong, Saowanit
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 44
• Pages of publication: 4605 - 4607
• a: 22.22 ± 0.004 Å
• b: 28.467 ± 0.006 Å
• c: 9.5966 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6070 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No