Information card for entry 4077861

Structure parameters

• Chemical name: 4-Phenyl-4,5-dihydro-3H-dinaphtho[2,1-c;1',2'-e]-arsepine
• Formula: C28 H21 As
• Calculated formula: C28 H21 As
• SMILES: [As]1(Cc2c(c3c(cc2)cccc3)c2c(C1)ccc1ccccc21)c1ccccc1
• Title of publication: Phosphine Complexes of an Enantiomerically Pure, Atropisomeric Arsenium Ion
• Authors of publication: Kilah, Nathan L.; Wild, S. Bruce
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 7
• Pages of publication: 2658
• a: 9.5841 ± 0.0005 Å
• b: 14.0425 ± 0.0006 Å
• c: 15.6167 ± 0.0006 Å
• α: 90°
• β: 90.828 ± 0.002°
• γ: 90°
• Cell volume: 2101.55 ± 0.16 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for all reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.0298
• Weighted residual factors for all reflections included in the refinement: 0.0298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1232
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No