Information card for entry 1513463

Structure parameters

• Formula: C23 H18 O4
• Calculated formula: C23 H18 O4
• SMILES: C1(c2ccc(cc2c2c(C1)cc1c(c2)OCO1)C)c1cc2c(cc1)OCO2
• Title of publication: Efficient synthesis of 9-aryldihydrophenanthrenes by a cascade reaction involving arynes and styrenes.
• Authors of publication: Bhojgude, Sachin Suresh; Bhunia, Anup; Gonnade, Rajesh G.; Biju, Akkattu T.
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 3
• Pages of publication: 676 - 679
• a: 5.1782 ± 0.0005 Å
• b: 11.752 ± 0.0011 Å
• c: 14.9599 ± 0.0014 Å
• α: 69.088 ± 0.005°
• β: 80.195 ± 0.006°
• γ: 83.679 ± 0.006°
• Cell volume: 836.78 ± 0.14 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0729
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No