Information card for entry 4114464

Structure parameters

• Common name: [2.2]paracyclophane-1-ene
• Chemical name: tricyclo[8.2.2.2^4,7^]hexadeca-1(13),2,4(16),5,7(15),10(14),11-heptaene
• Formula: C16 H14
• Calculated formula: C16 H14
• Title of publication: Heats of Formation of [2.2]Paracyclophane-1-ene and [2.2]Paracyclophane-1,9-diene - An Experimental Study
• Authors of publication: Armin de Meijere; Sergei I. Kozhushkov; Karsten Rauch; Heiko Schill; Sergey P. Verevkin; Martin Kümmerlin; Hans-Dieter Beckhaus; Christoph Rüchardt; Dmitrii S. Yufit
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 15110 - 15113
• a: 10.6131 ± 0.0003 Å
• b: 11.0639 ± 0.0003 Å
• c: 27.486 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3227.47 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 69
• Hermann-Mauguin space group symbol: F m m m
• Hall space group symbol: -F 2 2
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No