Information card for entry 4078037

Structure parameters

• Formula: C11 H10 O2
• Calculated formula: C11 H10 O2
• SMILES: c1(cccc2cccc(c12)CO)O
• Title of publication: A Missing Relative: A Hoveyda‒Grubbs Metathesis Catalyst Bearing a Peri-Substituted Naphthalene Framework
• Authors of publication: Barbasiewicz, Michał; Grudzień, Krzysztof; Malinska, Maura
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 3171
• a: 4.9018 ± 0.0003 Å
• b: 7.7798 ± 0.0005 Å
• c: 21.9948 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 838.77 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No