Information card for entry 4518233

Structure parameters

• Formula: C40 H39 N2
• Calculated formula: C40 H38 N2
• Title of publication: Light-Gated Modulation of Electronic Mobility of a Dihydropyrene-Based Photochromic Coordination Polymer
• Authors of publication: Ghosh, Sanjib; Hossain, Munshi Sahid; Chatterjee, Sheelbhadra; Rahaman, Sk. Atiur; Bandyopadhyay, Subhajit
• Journal of publication: ACS Applied Materials & Interfaces
• Year of publication: 2020
• a: 6.3632 ± 0.0005 Å
• b: 13.9288 ± 0.0009 Å
• c: 17.529 ± 0.0016 Å
• α: 98.437 ± 0.006°
• β: 91.106 ± 0.007°
• γ: 90.596 ± 0.006°
• Cell volume: 1536.4 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.1478
• Residual factor for significantly intense reflections: 0.1327
• Weighted residual factors for significantly intense reflections: 0.3157
• Weighted residual factors for all reflections included in the refinement: 0.3348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.287
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No