Information card for entry 7236653

Structure parameters

• Common name: TIPSTEP-Mg-Ph-Pyridine
• Chemical name: TIPSTEP-Mg-Ph-Pyridine
• Formula: C63 H65 Mg N5 Si2
• Calculated formula: C63 H65 Mg N5 Si2
• Title of publication: Substituent effects in magnesium tetraethynylporphyrin with two diketopyrrolopyrrole units for bulk heterojunction organic solar cells
• Authors of publication: Ogumi, Keisuke; Nakagawa, Takafumi; Okada, Hiroshi; Sakai, Ryohei; Wang, Huan; Matsuo, Yutaka
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 44
• Pages of publication: 23067
• a: 16.4994 ± 0.0003 Å
• b: 17.8761 ± 0.0003 Å
• c: 19.447 ± 0.0004 Å
• α: 90.9771 ± 0.0007°
• β: 100.693 ± 0.0007°
• γ: 102.996 ± 0.0007°
• Cell volume: 5481.48 ± 0.18 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1301
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.2058
• Weighted residual factors for all reflections included in the refinement: 0.2472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No