Information card for entry 4516285

Structure parameters

• Formula: C312 H306 O66 Sn6
• Calculated formula: C312 H306 O66 Sn6
• SMILES: Cc1c2c3[C@H](C)c4cc5[C@@H](c6cc7[C@H](c8cc9[C@@H](c(c3)c1OCOc9c(C)c8OCOc7c(C)c6OCOc5c(C)c4OC(C1=[O][Sn]345(CCCC)[O]6[Sn]78([O]3[Sn]39([O]%10[Sn]%11([O]%12[Sn]%13%10([O]4[Sn]6%12(OC(=[O]5)C4Oc5c(C)c6OCOc%10c(C)c%12OCOc%14c(C)c%15c%16cc%14[C@H](c%12cc%10[C@@H](c6cc5[C@H](C)c5cc([C@@H]%16C)c(c(C)c5O4)OCO%15)C)C)(OC(=[O]%13)C4Oc5c(C)c6c%10cc5[C@H](C)c5cc%12[C@@H](c%13cc%14[C@H](c%15cc([C@@H]%10C)c(c(C)c%15OCOc%14c(C)c%13OCOc%12c(C)c5O4)OCO6)C)C)CCCC)([O]=C(C4Oc5c(C)c6c%10cc5[C@H](C)c5cc%12[C@@H](c%13cc%14[C@H](c%15cc([C@@H]%10C)c(c(C)c%15OCOc%14c(C)c%13OCOc%12c(C)c5O4)OCO6)C)C)O%11)CCCC)([O]73)([O]=C(C3Oc4c(C)c5OCOc6c(C)c7OCOc%10c(C)c%11c%12cc%10[C@H](c7cc6[C@@H](c5cc4[C@H](C)c4cc([C@@H]%12C)c(c(C)c4O3)OCO%11)C)C)O9)CCCC)(OC(=[O]8)C3Oc4c(C)c5c6cc4[C@H](C)c4cc7[C@@H](c8cc9[C@H](c%10cc([C@@H]6C)c(c(C)c%10OCOc9c(C)c8OCOc7c(C)c4O3)OCO5)C)C)CCCC)(O1)CCCC)O2)C)C)C.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1
• Title of publication: Molecular Dumbbell, Sandwich, and Paddle-Wheel Assembled with Methylresorcin[4]arene Cavitands and Organooxotin Clusters
• Authors of publication: Dong, Yun-Bo; Shi, Hua-Yu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 1546
• a: 21.6371 ± 0.001 Å
• b: 26.1838 ± 0.0014 Å
• c: 26.204 ± 0.002 Å
• α: 112.705 ± 0.007°
• β: 106.067 ± 0.007°
• γ: 105.892 ± 0.005°
• Cell volume: 11885.2 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3519
• Residual factor for significantly intense reflections: 0.1147
• Weighted residual factors for significantly intense reflections: 0.2104
• Weighted residual factors for all reflections included in the refinement: 0.3058
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No