Information card for entry 7106340

Structure parameters

• Formula: C28 H18 O
• Calculated formula: C28 H18 O
• SMILES: o1c2ccccc2c2c(c3ccccc3)c3ccccc3c2c1c1ccccc1
• Title of publication: Efficient generation of indeno[1,2-c]chromenes via Pd-catalyzed reaction of 2-alkynylhalobenzene with 2-alkynylphenol
• Authors of publication: Yong Luo; Linxiang Hong; Jie Wu
• Journal of publication: Chemical Communications
• Year of publication: 2011
• Journal volume: 47
• Journal issue: 18
• Pages of publication: 5298 - 5300
• a: 8.384 ± 0.003 Å
• b: 10.466 ± 0.003 Å
• c: 10.991 ± 0.004 Å
• α: 89.811 ± 0.004°
• β: 78.202 ± 0.004°
• γ: 87.135 ± 0.004°
• Cell volume: 942.8 ± 0.6 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: 0.0734
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No