Information card for entry 1502413

Structure parameters

• Formula: C17 H22 O2
• Calculated formula: C17 H22 O2
• SMILES: OC1CCC2([C@H](CC=C2)Cc2ccc(O)cc2)CC1
• Title of publication: Integral stereocontrolled synthesis of a spiro-norlignan, sequosempervirin A: revision of absolute configuration.
• Authors of publication: Ito, Yuji; Takahashi, Kazunori; Nagase, Hiromasa; Honda, Toshio
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 17
• Pages of publication: 4640 - 4643
• a: 7.1962 ± 0.0002 Å
• b: 9.5745 ± 0.0003 Å
• c: 21.0083 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1447.47 ± 0.07 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No