Information card for entry 4100794

Structure parameters

• Formula: C52 H56 N8 O10
• Calculated formula: C52 H56 N8 O10
• SMILES: c1(c(cc(cc1CO)C)CCCC)c1ccc(cc1)/C(=N/Nc1c(cc(cc1)N(=O)=O)N(=O)=O)C
• Title of publication: Ru(II)-Catalyzed Chemo- and Regioselective Cyclotrimerization of Three Unsymmetrical Alkynes through Boron Temporary Tether. One-Pot Four-Component Coupling via Cyclotrimerization/Suzuki-Miyaura Coupling
• Authors of publication: Yoshihiko Yamamoto; Jun-ichi Ishii; Hisao Nishiyama; Kenji Itoh
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 3712 - 3713
• a: 9.7951 ± 0.0009 Å
• b: 15.3104 ± 0.0013 Å
• c: 18.4426 ± 0.0017 Å
• α: 101.362 ± 0.002°
• β: 104.892 ± 0.002°
• γ: 92.428 ± 0.002°
• Cell volume: 2607.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No