Information card for entry 7122517

Structure parameters

• Formula: C132 H129.5
• Calculated formula: C132 H129.5
• Title of publication: Spiro-fused bis-hexa-peri-hexabenzocoronene.
• Authors of publication: Hu, Yunbin; Wang, Di; Baumgarten, Martin; Schollmeyer, Dieter; Müllen, Klaus; Narita, Akimitsu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 96
• Pages of publication: 13575 - 13578
• a: 20.993 ± 0.0013 Å
• b: 17.0469 ± 0.0008 Å
• c: 30.788 ± 0.002 Å
• α: 90°
• β: 90.228 ± 0.005°
• γ: 90°
• Cell volume: 11017.9 ± 1.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 2
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.3471
• Residual factor for significantly intense reflections: 0.2358
• Weighted residual factors for significantly intense reflections: 0.5136
• Weighted residual factors for all reflections included in the refinement: 0.6109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.508
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No