Information card for entry 7247183

Structure parameters

• Common name: dimethoxy-m-bisazobenzene
• Formula: C20 H18 N4 O2
• Calculated formula: C20 H18 N4 O2
• SMILES: O(c1ccc(/N=N/c2cc(/N=N/c3ccc(OC)cc3)ccc2)cc1)C
• Title of publication: Photoliquefaction and phase transition of m-bisazobenzenes give molecular solar thermal fuels with a high energy density
• Authors of publication: Morikawa, Masa-aki; Yamanaka, Yuta; Ho Hui, Joseph Ka; Kimizuka, Nobuo
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 34
• Pages of publication: 24031 - 24037
• a: 9.3875 ± 0.0002 Å
• b: 5.3588 ± 0.0001 Å
• c: 34.5503 ± 0.0007 Å
• α: 90°
• β: 92.723 ± 0.002°
• γ: 90°
• Cell volume: 1736.12 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No