Information card for entry 1503206

Structure parameters

• Formula: C20 H27 N O5
• Calculated formula: C20 H27 N O5
• SMILES: C1(=O)[C@@]23[C@H](CC(=O)[C@]42C[C@]2([C@@]5([C@]4([C@H]([C@H]3O5)O)C)COC2)N1CC)C(C)C
• Title of publication: Tetraquinanes via [4 + 4] photocycloaddition/transannular ring closure.
• Authors of publication: Chen, Peiling; Carroll, Patrick J.; Sieburth, Scott McN
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 20
• Pages of publication: 4510 - 4512
• a: 7.4039 ± 0.0005 Å
• b: 13.4534 ± 0.001 Å
• c: 17.6386 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1756.9 ± 0.2 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No