Information card for entry 7105200

Structure parameters

• Formula: C23 H26 O2
• Calculated formula: C23 H26 O2
• SMILES: O=C1C[C@H](OCC)C[C@H]2[C@@]1(Cc1ccccc1C2)Cc1ccccc1.O=C1C[C@@H](OCC)C[C@@H]2[C@]1(Cc1ccccc1C2)Cc1ccccc1
• Title of publication: Intramolecular formal [4+2] cycloaddition of 3-ethoxycyclobutanones and alkenes.
• Authors of publication: Matsuo, Jun-Ichi; Sasaki, Shun; Hoshikawa, Takaya; Ishibashi, Hiroyuki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 6
• Pages of publication: 934 - 936
• a: 7.3596 ± 0.0005 Å
• b: 19.161 ± 0.001 Å
• c: 13.049 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1840.1 ± 0.2 ų
• Cell temperature: 123.2 K
• Ambient diffraction temperature: 123.2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for all reflections included in the refinement: 0.0443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No