Information card for entry 7106721

Structure parameters

• Formula: C28 H21 N O2
• Calculated formula: C28 H21 N O2
• SMILES: OC1(c2c3ccccc3nc(c2c2ccccc12)c1ccccc1)c1ccccc1.O
• Title of publication: An unexpected palladium-catalyzed reaction of 2-alkynylhalobenzene with 2-alkynylaniline: A novel and efficient route to 11H-indeno[1,2-c]quinolin-11-ols
• Authors of publication: Xiaolin Pan; Yong Luo; Jie Wu
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 8967
• a: 10.189 ± 0.003 Å
• b: 10.561 ± 0.003 Å
• c: 10.74 ± 0.003 Å
• α: 96.904 ± 0.004°
• β: 97.533 ± 0.004°
• γ: 113.838 ± 0.004°
• Cell volume: 1028.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.2058
• Weighted residual factors for all reflections included in the refinement: 0.2207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No