Information card for entry 1515533

Structure parameters

• Formula: C27 H26 F12 N2 P2
• Calculated formula: C27 H26 F12 N2 P2
• Title of publication: [6]Saddlequat: a [6]helquat captured on its racemization pathway
• Authors of publication: Adriaenssens, Louis; Severa, Lukáš; Koval, Dušan; Císařová, Ivana; Belmonte, Marta Martínez; Escudero-Adán, Eduardo C.; Novotná, Pavlína; Sázelová, Petra; Vávra, Jan; Pohl, Radek; Šaman, David; Urbanová, Marie; Kašička, Václav; Teplý, Filip
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 12
• Pages of publication: 2314
• a: 13.8836 ± 0.0007 Å
• b: 17.9623 ± 0.001 Å
• c: 18.7911 ± 0.001 Å
• α: 75.44 ± 0.002°
• β: 88.26 ± 0.002°
• γ: 85.425 ± 0.002°
• Cell volume: 4520.9 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1328
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.2068
• Weighted residual factors for all reflections included in the refinement: 0.2488
• Goodness-of-fit parameter for all reflections included in the refinement: 0.71
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No