Information card for entry 4132997

Structure parameters

• Formula: C104 H70 N12
• Calculated formula: C104 H70 N12
• SMILES: c12c3c4c(cc1)c(N(c1ccc(cc1)c1ccncc1)c1ccc(cc1)c1ccncc1)cc(c4ccc3c(N(c1ccc(cc1)c1ccncc1)c1ccc(cc1)c1ccncc1)cc2N(c1ccc(cc1)c1ccncc1)c1ccc(cc1)c1ccncc1)N(c1ccc(cc1)c1ccncc1)c1ccc(cc1)c1ccncc1
• Title of publication: Molecular Quadripod as a Noncovalent Interfacial Coupling Reagent for Forming Immobilized Coordination Assemblies.
• Authors of publication: Tang, Jian-Hong; Cai, Zhenfeng; Yan, Dong; Tang, Kun; Shao, Jiang-Yang; Zhan, Chuanlang; Wang, Dong; Zhong, Yu-Wu; Wan, Li-Jun; Yao, Jiannian
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 39
• Pages of publication: 12337 - 12340
• a: 14.594 ± 0.004 Å
• b: 15.377 ± 0.004 Å
• c: 15.584 ± 0.004 Å
• α: 93.674 ± 0.001°
• β: 117.541 ± 0.001°
• γ: 117.376 ± 0.003°
• Cell volume: 2578 ± 1.2 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 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: 0.1201
• Residual factor for significantly intense reflections: 0.1058
• Weighted residual factors for significantly intense reflections: 0.2978
• Weighted residual factors for all reflections included in the refinement: 0.3107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No