Information card for entry 7241669

Structure parameters

• Formula: C97.12 H32.31 N2 O0.59
• Calculated formula: C97.124 H32.31 N2 O0.593
• Title of publication: An orifice design: water insertion into C60
• Authors of publication: Hashikawa, Yoshifumi; Kizaki, Kazuro; Hirose, Takashi; Murata, Yasujiro
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 66
• Pages of publication: 40406 - 40410
• a: 10.005 ± 0.004 Å
• b: 12.857 ± 0.005 Å
• c: 22.495 ± 0.009 Å
• α: 98.332 ± 0.005°
• β: 97.908 ± 0.005°
• γ: 104.389 ± 0.006°
• Cell volume: 2727.4 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.072
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No