Information card for entry 1550686

Structure parameters

• Common name: 9
• Chemical name: M4A-008
• Formula: C108 H90
• Calculated formula: C108 H90
• Title of publication: Wavy-shaped Polycyclic Hydrocarbons with Controlled Aromaticity
• Authors of publication: Ma, Ji; Zhang, Ke; Schellhammer, Karl Sebastian; Fu, Yubin; Komber, Hartmut; Xu, Chi; Popov, Alexey A.; Hennersdorf, Felix; Weigand, Jan J.; Zhou, Shengqiang; Pisula, Wojciech; Ortmann, Frank; Berger, Reinhard Franz Josef; Liu, Junzhi; Feng, Xinliang
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 31.3411 ± 0.0008 Å
• b: 28.1487 ± 0.0006 Å
• c: 24.341 ± 0.0007 Å
• α: 90°
• β: 107.002 ± 0.003°
• γ: 90°
• Cell volume: 20535.4 ± 1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 2
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1683
• Residual factor for significantly intense reflections: 0.1246
• Weighted residual factors for significantly intense reflections: 0.2951
• Weighted residual factors for all reflections included in the refinement: 0.3349
• Goodness-of-fit parameter for all reflections included in the refinement: 0.855
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No