Information card for entry 7152172

Structure parameters

• Formula: C24 H15 Br O4
• Calculated formula: C24 H15 Br O4
• SMILES: c1(ccc2c(c1)c1c(C(=O)O2)c(c2ccccc2)oc1c1ccc(cc1)OC)Br
• Title of publication: Syntheses of furo[3,4-c]coumarins and related furyl coumarin derivatives via intramolecular Wittig reactions.
• Authors of publication: Jang, Yeong-Jiunn; Syu, Siang-en; Chen, Yu-Jhang; Yang, Mei-Chun; Lin, Wenwei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 4
• Pages of publication: 843 - 847
• a: 13.9784 ± 0.0017 Å
• b: 6.7384 ± 0.0008 Å
• c: 20.781 ± 0.003 Å
• α: 90°
• β: 106.778 ± 0.003°
• γ: 90°
• Cell volume: 1874.1 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• 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: 0.0936
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No