Information card for entry 4036316

Structure parameters

• Common name: 4e in manuscript
• Formula: C76 H64 Cl24 O12
• Calculated formula: C76 H64 Cl24 O12
• Title of publication: Synthesis of Triphenylene-Based Triptycenes via Suzuki-Miyaura Cross-Coupling and Subsequent Scholl Reaction.
• Authors of publication: Reinhard, Dennis; Rominger, Frank; Mastalerz, Michael
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 18
• Pages of publication: 9342 - 9348
• a: 17.898 ± 0.002 Å
• b: 25.162 ± 0.003 Å
• c: 20.571 ± 0.003 Å
• α: 90°
• β: 107.287 ± 0.002°
• γ: 90°
• Cell volume: 8845.7 ± 1.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1466
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.1994
• Weighted residual factors for all reflections included in the refinement: 0.2368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No