Information card for entry 7104352

Structure parameters

• Common name: (E)-((E)-4-(2-methoxy-2-oxothylidene)-2-(methoxycarbonyl)-3- phenylcyclobut-2-enylidene)(phenyl)methyl benzoate
• Chemical name: (E)-((E)-4-(2-methoxy-2-oxothylidene)-2-(methoxycarbonyl)-3- phenylcyclobut-2-enylidene)(phenyl)methyl benzoate
• Formula: C29 H22 O6
• Calculated formula: C29 H22 O6
• Title of publication: Ambiphilic allenes: synthesis and reactivity.
• Authors of publication: Tejedor, David; Méndez-Abt, Gabriela; González-Platas, Javier; Ramírez, Miguel A; García-Tellado, Fernando
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 17
• Pages of publication: 2368 - 2370
• a: 10.769 ± 0.001 Å
• b: 9.678 ± 0.001 Å
• c: 23.311 ± 0.001 Å
• α: 90°
• β: 96.4 ± 0.002°
• γ: 90°
• Cell volume: 2414.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0794
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1877
• Weighted residual factors for all reflections included in the refinement: 0.1955
• 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