Information card for entry 7119219

Structure parameters

• Formula: C39 H41 P S2
• Calculated formula: C39 H41 P S2
• Title of publication: Functional small-molecules & polymers containing P[double bond, length as m-dash]C and As[double bond, length as m-dash]C bonds as hybrid π-conjugated materials.
• Authors of publication: Morales Salazar, Daniel; Mijangos, Edgar; Pullen, Sonja; Gao, Ming; Orthaber, Andreas
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 1120 - 1123
• a: 40.116 ± 0.004 Å
• b: 12.0063 ± 0.0011 Å
• c: 14.4519 ± 0.0016 Å
• α: 90°
• β: 103.394 ± 0.007°
• γ: 90°
• Cell volume: 6771.4 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1571
• Residual factor for significantly intense reflections: 0.0986
• Weighted residual factors for significantly intense reflections: 0.279
• Weighted residual factors for all reflections included in the refinement: 0.3216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No