Information card for entry 7225169

Structure parameters

• Common name: 1,4-Di(17-H-tetrabenzo[a,c,g,i]fluorenemethyl)benzene
• Chemical name: 1,4-Di(tetrabenzo[a,c,g,i]fluorenemethyl)benzene
• Formula: C45 H45 O
• Calculated formula: C45 H45 O
• Title of publication: "Bottom-up" self-assembly and "cold crystallization" of butterfly shaped tetrabenzofluorene molecules.
• Authors of publication: Sampath, Srinivasan; Boopathi, A. A.; Mandal, A. B.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 31
• Pages of publication: 21251 - 21258
• a: 9.6555 ± 0.0004 Å
• b: 10.5975 ± 0.0005 Å
• c: 18.1996 ± 0.0008 Å
• α: 86.088 ± 0.002°
• β: 85.13 ± 0.002°
• γ: 68.108 ± 0.002°
• Cell volume: 1720.38 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1393
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1714
• Weighted residual factors for all reflections included in the refinement: 0.2082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No