Information card for entry 7237994

Structure parameters

• Formula: C55 H49 Cl3
• Calculated formula: C55 H49 Cl3
• Title of publication: The effect of side-chain length on the microstructure and processing window of zone-cast naphthalene-based bispentalenes
• Authors of publication: Goetz, Katelyn P.; Sekine, Kohei; Paulus, Fabian; Zhong, Yu; Roth, Daniel; Becker-Koch, David; Hofstetter, Yvonne J.; Michel, Elena; Reichert, Lisa; Rominger, Frank; Rudolph, Matthias; Huettner, Sven; Vaynzof, Yana; Herzig, Eva M.; Hashmi, A. Stephen K.; Zaumseil, Jana
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 43
• Pages of publication: 13493
• a: 9.9846 ± 0.0009 Å
• b: 15.2085 ± 0.0014 Å
• c: 15.4812 ± 0.0014 Å
• α: 101.68 ± 0.003°
• β: 95.697 ± 0.003°
• γ: 108.613 ± 0.003°
• Cell volume: 2147.5 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1739
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.1912
• Weighted residual factors for all reflections included in the refinement: 0.249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No