Information card for entry 4341178

Structure parameters

• Formula: C40 H37 N3 O4
• Calculated formula: C40 H37 N3 O4
• SMILES: c1(ccc(cc1)N(c1ccc(OC)cc1)c1ccc(OC)cc1)Nc1ccc(cc1)N(c1ccc(OC)cc1)c1ccc(OC)cc1
• Title of publication: Photoinduced electron transfer in rhenium(i)-oligotriarylamine molecules.
• Authors of publication: Bonn, Annabell G.; Neuburger, Markus; Wenger, Oliver S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 20
• Pages of publication: 11075 - 11085
• a: 10.2046 ± 0.0008 Å
• b: 15.402 ± 0.0012 Å
• c: 20.5009 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3222.2 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for all reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections included in the refinement: 0.0383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0472
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No