Information card for entry 1504222

Structure parameters

• Formula: C20 H24 O2
• Calculated formula: C20 H24 O2
• SMILES: C1(/C(=C/c2cc3ccccc3cc2)CC1)(CCCCCO)O
• Title of publication: Cascade synthesis of (E)-2-alkylidenecyclobutanols.
• Authors of publication: Falck, J. R.; Bandyopadhyay, Anish; Puli, Narender; Kundu, Abhijit; Reddy, L. Manmohan; Barma, Deb K.; He, Anyu; Zhang, Hongming; Kashinath, Dhurke; Baati, Rachid
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 20
• Pages of publication: 4764 - 4766
• a: 14.0468 ± 0.0008 Å
• b: 6.6546 ± 0.0004 Å
• c: 18.8942 ± 0.001 Å
• α: 90°
• β: 110.607 ± 0.001°
• γ: 90°
• Cell volume: 1653.15 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.065
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No