Information card for entry 1545161

Structure parameters

• Formula: C19 H16 O2
• Calculated formula: C19 H16 O2
• SMILES: o1c2ccccc2c2c(c1)c1ccccc1c2CCCO
• Title of publication: ZnBr2-Mediated Cascade Reaction of o-Alkoxy Alkynols: Synthesis of Indeno[1,2-c]chromenes.
• Authors of publication: Garkhedkar, Amol Milind; Senadi, Gopal Chandru; Wang, Jeh-Jeng
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 3
• Pages of publication: 488 - 491
• a: 5.0158 ± 0.0003 Å
• b: 12.9738 ± 0.0011 Å
• c: 21.6829 ± 0.0017 Å
• α: 93.089 ± 0.007°
• β: 94.326 ± 0.005°
• γ: 93.543 ± 0.006°
• Cell volume: 1401.85 ± 0.18 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: 0.1222
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1652
• Weighted residual factors for all reflections included in the refinement: 0.2018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No