Information card for entry 1565096

Structure parameters

• Chemical name: 9-(4-(naphthalen-1-yl)phenyl)-10-(naphthalen-2-yl)anthracene ethanol solvate
• Formula: C40.4 H27.2 O0.2
• Calculated formula: C40.394 H27.182 O0.197
• Title of publication: van der Waals solid solution crystals for highly efficient in-air photon upconversion under subsolar irradiance.
• Authors of publication: Enomoto, Riku; Hoshi, Megumi; Oyama, Hironaga; Agata, Hideki; Kurokawa, Shinichi; Kuma, Hitoshi; Uekusa, Hidehiro; Murakami, Yoichi
• Journal of publication: Materials horizons
• Year of publication: 2021
• Journal volume: 8
• Journal issue: 12
• Pages of publication: 3449 - 3456
• a: 18.8286 ± 0.0003 Å
• b: 7.498 ± 0.0001 Å
• c: 38.7615 ± 0.0006 Å
• α: 90°
• β: 96.684 ± 0.001°
• γ: 90°
• Cell volume: 5435.03 ± 0.14 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 3
• 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: 0.0476
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No