Information card for entry 7117520

Structure parameters

• Formula: C144 H42 O6 P2
• Calculated formula: C144 H42 O6 P2
• SMILES: c12c3c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c(c1c1c3c(c59)c%10c%13c%151)c1c3c2c2c4c6c4c5c7c6c7c9c%10c%13c%15c%17c(c%18c3c2c4c2c5c7c%10c%17c%182)c1c%16c%15c%14c%13c%12c9c%11c86.C(#Cc1c2c3P4c5c(ccc(c5Oc5ccc(c(Oc3cc1)c45)C#Cc1ccccc1)C#Cc1ccccc1)O2)c1ccccc1.C(#Cc1c2Oc3ccc(c4Oc5ccc(c6Oc(cc1)c2P(c34)c56)C#Cc1ccccc1)C#Cc1ccccc1)c1ccccc1
• Title of publication: Tuning the depth of bowl-shaped phosphine hosts: capsule and pseudo-cage architectures in host-guest complexes with C60 fullerene
• Authors of publication: Masaki Yamamura; Kimiya Sukegawa; Tatsuya Nabeshima
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 12080
• a: 19.058 ± 0.012 Å
• b: 19.058 ± 0.012 Å
• c: 20.787 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6538 ± 7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1077
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No