Information card for entry 7107733

Structure parameters

• Formula: C126 H91 Cl4 N5 O10
• Calculated formula: C126 H91 Cl4.0005 N5 O10
• Title of publication: Facile preparation of amine and amino acid adducts of [60]fullerene using chlorofullerene C60Cl6 as a precursor
• Authors of publication: Alexey Kornev; Ekaterina Khakina; Sergey Troyanov; Alla Kushch; Alexander Peregudov; Dmitry Deryabin; Vyacheslav Martynenko; Pavel Troshin
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 5461
• a: 27.853 ± 0.001 Å
• b: 29.022 ± 0.001 Å
• c: 11.599 ± 0.0005 Å
• α: 90°
• β: 90.132 ± 0.005°
• γ: 90°
• Cell volume: 9376 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0919
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.1872
• Weighted residual factors for all reflections included in the refinement: 0.1987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.905 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No