Information card for entry 4340311

Structure parameters

• Formula: C26 H21 B2 N4 P
• Calculated formula: C26 H21 B2 N4 P
• SMILES: P(B1Nc2c3c(N1)cccc3ccc2)(c1ccccc1)B1Nc2c3c(N1)cccc3ccc2
• Title of publication: Mono-, di-, and triborylphosphine analogues of triarylphosphines.
• Authors of publication: Bailey, Jonathan A.; Ploeger, Marten; Pringle, Paul G.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 7763 - 7769
• a: 13.685 ± 0.0007 Å
• b: 19.4779 ± 0.0011 Å
• c: 8.0751 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2152.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No