Information card for entry 1555102

Structure parameters

• Formula: C22 H22 O
• Calculated formula: C22 H22 O
• SMILES: O=C1[C@H]([C@H]2C(=Cc3c2cccc3)c2ccc(cc2)C)CCCC1.O=C1[C@@H]([C@@H]2C(=Cc3c2cccc3)c2ccc(cc2)C)CCCC1
• Title of publication: In Situ Formed Acetal-Facilitated Synthesis of Substituted Indene Derivatives from o-Alkenylbenzaldehydes.
• Authors of publication: Manojveer, Seetharaman; Balamurugan, Rengarajan
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 14
• Pages of publication: 3600 - 3603
• a: 9.1622 ± 0.0018 Å
• b: 9.508 ± 0.002 Å
• c: 10.568 ± 0.002 Å
• α: 83 ± 0.016°
• β: 65.519 ± 0.019°
• γ: 78.417 ± 0.018°
• Cell volume: 820 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0795
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No