Information card for entry 7238932

Structure parameters

• Formula: C17 H19 N O6
• Calculated formula: C17 H19 N O6
• Title of publication: One-pot thermally chemocontrolled double Diels‒Alder strategies. A route to [4 + 2] functionalisation/[4 + 2] derivatization of C60
• Authors of publication: Markoulides, Marios S.; Ioannou, Georgios I.; Manos, Manolis J.; Chronakis, Nikos
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 14
• Pages of publication: 4750
• a: 13.3575 ± 0.0006 Å
• b: 15.2746 ± 0.0008 Å
• c: 7.8745 ± 0.0004 Å
• α: 90°
• β: 98.222 ± 0.004°
• γ: 90°
• Cell volume: 1590.12 ± 0.14 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: 0.0605
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No