Information card for entry 7236354

Structure parameters

• Chemical name: N,N-bis(4-(phenyldiazenyl)phenyl)docosa-10,12-diynediamide
• Formula: C46 H52 N6 O2
• Calculated formula: C46 H52 N6 O2
• Title of publication: Photon energy storage materials with high energy densities based on diacetylene‒azobenzene derivatives
• Authors of publication: Han, Ggoch Ddeul; Park, Sarah S.; Liu, Yun; Zhitomirsky, David; Cho, Eugene; Dincă, Mircea; Grossman, Jeffrey C.
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2016
• Journal volume: 4
• Journal issue: 41
• Pages of publication: 16157
• a: 5.9062 ± 0.0007 Å
• b: 7.7504 ± 0.0009 Å
• c: 42.123 ± 0.005 Å
• α: 87 ± 0.002°
• β: 89.311 ± 0.002°
• γ: 86.21 ± 0.002°
• Cell volume: 1921.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.103
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1927
• Weighted residual factors for all reflections included in the refinement: 0.2094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No