Information card for entry 7159040

Structure parameters

• Formula: C24 H16 O3
• Calculated formula: C24 H16 O3
• SMILES: o1c(c(c2ccccc2)c2c3c(OCc2c1=O)cccc3)c1ccccc1
• Title of publication: Ru(II)-catalysed oxidative (4 + 2) annulation of chromene and coumarin carboxylic acids with alkynes/propargylic alcohols: isolation of Ru(0) complexes.
• Authors of publication: Shankar, Mallepalli; Kumara Swamy, K. C.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 21
• Journal issue: 1
• Pages of publication: 195 - 208
• a: 7.9771 ± 0.0003 Å
• b: 14.2651 ± 0.0006 Å
• c: 15.4453 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1757.58 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No