Information card for entry 7237305

Structure parameters

• Chemical name: Bis(1-napthoate) silicon phthalocyanine
• Formula: C54 H30 N8 O4 Si
• Calculated formula: C54 H30 N8 O4 Si
• Title of publication: Silicon phthalocyanines as N-type semiconductors in organic thin film transistors
• Authors of publication: Melville, Owen A.; Grant, Trevor M.; Lessard, Benoît H.
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 20
• Pages of publication: 5482
• a: 8.6931 ± 0.0002 Å
• b: 10.8895 ± 0.0003 Å
• c: 11.6021 ± 0.0003 Å
• α: 104.591 ± 0.001°
• β: 109.742 ± 0.001°
• γ: 92.148 ± 0.001°
• Cell volume: 991.3 ± 0.04 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No