Information card for entry 7108640

Structure parameters

• Formula: C22 H13 Br O3
• Calculated formula: C22 H13 Br O3
• SMILES: Brc1cc(C(=O)c2c(oc3ccccc3c2=O)c2ccccc2)ccc1
• Title of publication: A concise synthesis of 3-aroylflavones via Lewis base 9-azajulolidine-catalyzed tandem acyl transfer-cyclization
• Authors of publication: Masahito Yoshida; Koya Saito; Yuta Fujino; Takayuki Doi
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 11796
• a: 27.076 ± 0.017 Å
• b: 8.21 ± 0.004 Å
• c: 17.965 ± 0.011 Å
• α: 90°
• β: 119.619 ± 0.013°
• γ: 90°
• Cell volume: 3472 ± 4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.2342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.25
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No