Information card for entry 7107766

Structure parameters

• Common name: azoB
• Formula: C32 H34 N2 O6
• Calculated formula: C32 H34 N2 O6
• SMILES: Oc1c(cccc1O)c1ccc(N=Nc2ccc(c3c(O)c(O)ccc3)cc2)cc1.O1CCCC1.O1CCCC1
• Title of publication: Locking of Photoisomerization Behavior of Self-assemble Azobenzene-linked Macrocycles with Structural Restriction
• Authors of publication: Masaki Yamamura; Yuki Okazaki; Tatsuya Nabeshima
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 5724
• a: 14.93 ± 0.07 Å
• b: 9.11 ± 0.04 Å
• c: 21.95 ± 0.1 Å
• α: 90°
• β: 106.81 ± 0.18°
• γ: 90°
• Cell volume: 2858 ± 2 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1445
• Residual factor for significantly intense reflections: 0.1114
• Weighted residual factors for significantly intense reflections: 0.2674
• Weighted residual factors for all reflections included in the refinement: 0.2944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No