Information card for entry 4101472

Structure parameters

• Formula: C43 H52 N4 O9
• Calculated formula: C43 H52 N4 O9
• SMILES: c12ccc(cc1)N=Nc1c3ccc(c1)C(c1ccc(c(c1)N=Nc1ccc(cc1)OCCOCCOCCO3)OCCOCCOCCO2)(C)C.C1CCCO1
• Title of publication: Dynamic control of racemization rate through E-Z photoisomerization of azobenzene and subsequent partial photoresolution under circular polarized light.
• Authors of publication: Tamaoki, Nobuyuki; Wada, Momoyo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 19
• Pages of publication: 6284 - 6285
• a: 10.3665 ± 0.0009 Å
• b: 32.825 ± 0.003 Å
• c: 11.868 ± 0.001 Å
• α: 90°
• β: 101.224 ± 0.002°
• γ: 90°
• Cell volume: 3961.1 ± 0.6 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0647
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No