Information card for entry 4085610

Structure parameters

• Formula: C18 H12 O2
• Calculated formula: C18 H12 O2
• SMILES: O1C(=O)C(=C2c3ccccc3C(=C12)C)c1ccccc1
• Title of publication: 1,4- to 1,5-Homologation of Alkene-Carbene and Alkyne-Carbene Complexes of Chromium and Tungsten: The Clue to Reactivity
• Authors of publication: Rudler, Henri; Parlier, Andrée; del Pilar Peregrina, Maria; Vaissermann, Jacqueline
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 1
• Pages of publication: 1 - 3
• a: 12.575 ± 0.003 Å
• b: 7.265 ± 0.003 Å
• c: 14.454 ± 0.003 Å
• α: 90°
• β: 98.53 ± 0.02°
• γ: 90°
• Cell volume: 1305.9 ± 0.7 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1153
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for all reflections: 0.1212
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No