Information card for entry 1545160

Structure parameters

• Formula: C17 H14 O
• Calculated formula: C17 H14 O
• SMILES: O1c2ccccc2C=C2c3ccccc3CCC12
• 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: 12.0468 ± 0.0011 Å
• b: 6.2442 ± 0.0004 Å
• c: 16.9384 ± 0.0013 Å
• α: 90°
• β: 109.936 ± 0.01°
• γ: 90°
• Cell volume: 1197.8 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1008
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.18
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No