Information card for entry 7157166

Structure parameters

• Formula: C25 H18 Br N O3
• Calculated formula: C25 H18 Br N O3
• Title of publication: Thermal-mediated [1,3]-hydrogen transfer as the key step: access to oxindole-chromone hybrid collection with structural diversity
• Authors of publication: Gong, Ying; Xu, Sheng-Wen; Liu, Xiong-Wei; Li, Zheng; Liu, Xiong-Li; Yao, Zhen; Zhou, Ying
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2019
• a: 9.2679 ± 0.0007 Å
• b: 11.9073 ± 0.0008 Å
• c: 18.539 ± 0.0013 Å
• α: 90°
• β: 102.734 ± 0.001°
• γ: 90°
• Cell volume: 1995.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0549
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No