Information card for entry 4120005

Structure parameters

• Formula: C32 H34 N4 O7
• Calculated formula: C32 H34 N4 O7
• SMILES: O=C(Nc1ccc(c2cc(OC)c(N=Nc3c(OC)cc(cc3OC)c3ccc(NC(=O)C)cc3)c(OC)c2)cc1)C.O
• Title of publication: Photoswitching Azo Compounds in Vivo with Red Light
• Authors of publication: Subhas Samanta; Andrew A. Beharry; Oleg Sadovski; Theresa M. McCormick; Amirhossein Babalhavaeji; Vince Tropepe; G. Andrew Woolley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 9777 - 9784
• a: 36.643 ± 0.005 Å
• b: 8.7979 ± 0.0012 Å
• c: 19.26 ± 0.003 Å
• α: 90°
• β: 111.473 ± 0.003°
• γ: 90°
• Cell volume: 5778.1 ± 1.4 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No