Information card for entry 7244909

Structure parameters

• Formula: C75 H12
• Calculated formula: C75 H12
• SMILES: C12(C3(c4c5c6c1c1c7c8c6c6c5c5c9c4c4c3c3c%10c2c1c1c2c%10c%10c3c3c4c4c9c9c5c5c6c6c8c8c7c1c1c2c2c%10c7c3c4c3c9c4c5c6c5c8c1c1c5c4c3c7c21)Cc1ccccc1)C#Cc1ccccc1
• Title of publication: Reactions of [60]fullerene with alkynes promoted by OH−
• Authors of publication: Chang, Wei-Wei; He, Fa-Hui; García-Peñas, Alberto; Shekh, Mehdihasan I.; Li, Zong-Jun
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 22
• Pages of publication: 14018 - 14021
• a: 20.5241 ± 0.0016 Å
• b: 10.072 ± 0.0008 Å
• c: 19.8797 ± 0.0016 Å
• α: 90°
• β: 115.305 ± 0.001°
• γ: 90°
• Cell volume: 3715.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1342
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No