Information card for entry 4037903

Structure parameters

• Formula: C25 H28 O
• Calculated formula: C25 H28 O
• SMILES: Oc1c(C(c2c(cc(c(c2)C)C)C)c2c(cc(c(c2)C)C)C)cccc1
• Title of publication: A mild and metal-free protocol towards the synthesis of triarylmethanes by reactions of (hetero)arylboronic acids and ortho-hydroxyarylaldehydes.
• Authors of publication: Jesin, Irfana; Mercy, A. Antony Haritha; S, Ravindra; Kataria, Ramesh; Nandi, Ganesh Chandra
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 7.6901 ± 0.0006 Å
• b: 8.959 ± 0.0006 Å
• c: 15.0201 ± 0.0011 Å
• α: 82.501 ± 0.006°
• β: 89.134 ± 0.006°
• γ: 82.478 ± 0.006°
• Cell volume: 1017.14 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1358
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.172
• Weighted residual factors for all reflections included in the refinement: 0.21
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No