Information card for entry 7131207

Structure parameters

• Formula: C32 H31 N3 O2
• Calculated formula: C32 H31 N3 O2
• SMILES: N1(c2ccccc2)C(=O)c2c(ccc(c2C1=O)c1nc(ccc1)C(C)(C)C)c1nc(ccc1)C(C)(C)C
• Title of publication: C2-insertion into a fullerene orifice.
• Authors of publication: Hashikawa, Yoshifumi; Murata, Yasujiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 12
• Pages of publication: 1645 - 1648
• a: 23.689 ± 0.003 Å
• b: 19.477 ± 0.003 Å
• c: 11.8763 ± 0.0015 Å
• α: 90°
• β: 98.836 ± 0.002°
• γ: 90°
• Cell volume: 5414.6 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0792
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No