Information card for entry 4081965

Structure parameters

• Formula: C20 H16 O2 P2
• Calculated formula: C20 H16 O2 P2
• Title of publication: Fluorescent Heteroacenes with Multiply-Bonded Phosphorus
• Authors of publication: Laughlin, Feng Li; Deligonul, Nihal; Rheingold, Arnold L.; Golen, James A.; Laughlin, Brynna J.; Smith, Rhett C.; Protasiewicz, John D.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 23
• Pages of publication: 7116
• a: 10.5582 ± 0.0007 Å
• b: 10.069 ± 0.0007 Å
• c: 9.5461 ± 0.0007 Å
• α: 90°
• β: 112.505 ± 0.001°
• γ: 90°
• Cell volume: 937.57 ± 0.11 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No