Information card for entry 4348226

Structure parameters

• Formula: C54 H66 As P3
• Calculated formula: C54 H66 As P3
• SMILES: [As](c1ccc2c3c(ccc(P(C(C)C)C(C)C)c13)CC2)(c1ccc2c3c(ccc(P(C(C)C)C(C)C)c13)CC2)c1ccc2c3c(ccc(P(C(C)C)C(C)C)c13)CC2
• Title of publication: Geminally Substituted Tris(acenaphthyl) and Bis(acenaphthyl) Arsines, Stibines, and Bismuthine: A Structural and Nuclear Magnetic Resonance Investigation.
• Authors of publication: Chalmers, Brian A.; Meigh, Christina B. E.; Nejman, Phillip S.; Bühl, Michael; Lébl, Tomáš; Woollins, J. Derek; Slawin, Alexandra M. Z.; Kilian, Petr
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 14
• Pages of publication: 7117 - 7125
• a: 10.184 ± 0.002 Å
• b: 11.385 ± 0.002 Å
• c: 21.809 ± 0.004 Å
• α: 90.654 ± 0.002°
• β: 100.864 ± 0.004°
• γ: 111.008 ± 0.004°
• Cell volume: 2309.6 ± 0.7 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No