Information card for entry 7055148

Structure parameters

• Formula: C11 H10 O
• Calculated formula: C11 H10 O
• SMILES: O=C(C1=CCc2c1cccc2)C
• Title of publication: Novel indenyl ligands bearing electron-withdrawing functional groups
• Authors of publication: Honzíčková, Iva; Vinklárek, Jaromír; Romão, Carlos C.; Růžičková, Zdeňka; Honzíček, Jan
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 1
• Pages of publication: 245
• a: 15.0282 ± 0.0004 Å
• b: 7.542 ± 0.0002 Å
• c: 14.8454 ± 0.0005 Å
• α: 90°
• β: 91.901 ± 0.002°
• γ: 90°
• Cell volume: 1681.69 ± 0.08 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No