Information card for entry 7048022

Structure parameters

• Chemical name: 5-(4-Chlorophenyl)-phenanthredin-6-one
• Formula: C19 H12 Cl N O
• Calculated formula: C19 H12 Cl N O
• Title of publication: Selective hydrosiloxane synthesis via dehydrogenative coupling of silanols with hydrosilanes catalysed by Fe complexes bearing a tetradentate PNNP ligand.
• Authors of publication: Takeshita, Tomohiro; Sato, Kazuhiko; Nakajima, Yumiko
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 47
• Pages of publication: 17004 - 17010
• a: 5.4622 ± 0.0002 Å
• b: 25.5595 ± 0.0011 Å
• c: 10.5965 ± 0.0005 Å
• α: 90°
• β: 101.941 ± 0.004°
• γ: 90°
• Cell volume: 1447.38 ± 0.11 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.0872
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No