Information card for entry 7203248

Structure parameters

• Common name: 4-(1',3'-oxyl-4',4',5',5'-tetramethyl-imidazolin-2'-yl)- benzoic acid 3,5-bis-(1'',3''-oxyl-4'',4'',5'',5''-tetramethyl- imidazolin-2''-yl)-phenyl ester
• Chemical name: 4-(1',3'-oxyl-4',4',5',5'-tetramethyl-imidazolin-2'-yl)-benzoic acid 3,5-bis- (1'',3''-oxyl-4'',4'',5'',5''-tetramethyl-imidazolin-2''-yl)-phenyl ester
• Formula: C34.5 H44 Cl N6 O8
• Calculated formula: C34.5 H43 Cl N6 O8
• Title of publication: Clustering of molecular spins in the crystals of nitronylnitroxide and iminonitroxide triradicals based on benzene-1,3,5-triyl frameworks
• Authors of publication: Kanzaki, Yuki; Shiomi, Daisuke; Kaneda, Chika; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2006
• Journal volume: 16
• Journal issue: 21
• Pages of publication: 2064
• a: 11.39 ± 0.001 Å
• b: 12.091 ± 0.002 Å
• c: 14.386 ± 0.003 Å
• α: 74.85 ± 0.02°
• β: 78.45 ± 0.02°
• γ: 68.7 ± 0.02°
• Cell volume: 1769.5 ± 0.6 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.219
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No