Information card for entry 4101469

Structure parameters

• Formula: C35 H36 N4 O6
• Calculated formula: C35 H36 N4 O6
• SMILES: O1c2ccc3C(c4ccc(OCCOCCOc5ccc(N=Nc2c3)cc5)c(N=Nc2ccc(OCCOCC1)cc2)c4)(C)C
• 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: 8.2553 ± 0.0007 Å
• b: 12.2943 ± 0.001 Å
• c: 16.4607 ± 0.0014 Å
• α: 102.663 ± 0.002°
• β: 103.627 ± 0.002°
• γ: 91.036 ± 0.002°
• Cell volume: 1579.8 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 228 ± 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: 0.0522
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No