Information card for entry 1504987

Structure parameters

• Formula: C13 H16 O2
• Calculated formula: C13 H16 O2
• Title of publication: Chromium(0)-promoted [6pi + 2pi] cycloadditions of allenes with cycloheptatriene.
• Authors of publication: Rigby, James H.; Laurent, Stéphane B; Kamal, Zeeshan; Heeg, Mary Jane
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 24
• Pages of publication: 5609 - 5612
• a: 7.4379 ± 0.0002 Å
• b: 10.6548 ± 0.0003 Å
• c: 13.3291 ± 0.0004 Å
• α: 82.488 ± 0.002°
• β: 88.229 ± 0.001°
• γ: 78.635 ± 0.001°
• Cell volume: 1026.71 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No