Information card for entry 7201122

Structure parameters

• Formula: C52 H68 N4
• Calculated formula: C52 H68 N4
• SMILES: N(c1ccc(cc1)C#Cc1ccc(N=Nc2ccc(C#Cc3ccc(N(CCCCCC)CCCCCC)cc3)cc2)cc1)(CCCCCC)CCCCCC
• Title of publication: Photoinduced structural modifications in multicomponent architectures containing azobenzene moieties as photoswitchable cores
• Authors of publication: Zeitouny, Joceline; Aurisicchio, Claudia; Bonifazi, Davide; De Zorzi, Rita; Geremia, Silvano; Bonini, Massimo; Palma, Carlos-Andres; Samorì, Paolo; Listorti, Andrea; Belbakra, Abdelhalim; Armaroli, Nicola
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2009
• Journal volume: 19
• Journal issue: 27
• Pages of publication: 4715
• a: 11.2511 ± 0.0007 Å
• b: 12.4067 ± 0.001 Å
• c: 17.7933 ± 0.0012 Å
• α: 96.813 ± 0.004°
• β: 91.644 ± 0.005°
• γ: 116.369 ± 0.006°
• Cell volume: 2200.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No