Information card for entry 4024514

Structure parameters

• Formula: C26 H24 O6
• Calculated formula: C26 H24 O6
• SMILES: O(C12C3(C4(OC)C1([C@@H]1[C@H]2c2ccccc2[C@H]3[C@H]4c2ccccc12)C(=O)OC)C(=O)OC)C.O(C12C3(C4(OC)C1([C@H]1[C@@H]2c2ccccc2[C@@H]3[C@@H]4c2ccccc12)C(=O)OC)C(=O)OC)C
• Title of publication: γ-Cyclodextrin-Directed Enantioselective Photocyclodimerization of Methyl 3-Methoxyl-2-naphthoate
• Authors of publication: Lin Luo; Gui-Hong Liao; Xiao-Ling Wu; Lei Lei; Chen-Ho Tung; Li-Zhu Wu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 3506 - 3515
• a: 8.6542 ± 0.0012 Å
• b: 13.1501 ± 0.0015 Å
• c: 18.9821 ± 0.0018 Å
• α: 90.359 ± 0.004°
• β: 98.88 ± 0.006°
• γ: 97.362 ± 0.005°
• Cell volume: 2116 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 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: 0.0909
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No