Information card for entry 7116324

Structure parameters

• Formula: C22 H32 B10 N2 P2
• Calculated formula: C22 H32 B10 N2 P2
• SMILES: P1(N(C)C)[C]2345[C]678(C(=C1P(N(C)C)C#Cc1ccccc1)c1ccccc1)[BH]194[BH]4%102[BH]2%113[BH]3%124[BH]41%10[BH]1%10%12[BH]%12%113[BH]562[BH]8%10%12[BH]7941
• Title of publication: Carbaborane-based alkynylphosphanes and phospholes
• Authors of publication: Anika Kreienbrink; Menyhart B. Sarosi; Robert Kuhnert; Peter Wonneberger; Anna I. Arkhypchuk; Peter Lonnecke; Sascha Ott; Evamarie Hey-Hawkins
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 836
• a: 14.5505 ± 0.0003 Å
• b: 15.3833 ± 0.0003 Å
• c: 12.6324 ± 0.0003 Å
• α: 90°
• β: 92.549 ± 0.002°
• γ: 90°
• Cell volume: 2824.77 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.083
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No