Information card for entry 4340312

Structure parameters

• Formula: C30 H24 B3 N6 P
• Calculated formula: C30 H24 B3 N6 P
• SMILES: B1(Nc2c3c(cccc3ccc2)N1)P(B1Nc2cccc3cccc(c23)N1)B1Nc2cccc3cccc(c23)N1
• 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: 14.3773 ± 0.0003 Å
• b: 14.3773 ± 0.0003 Å
• c: 7.2074 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1290.22 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No