Information card for entry 8107378

Structure parameters

• Formula: C28 H28 O7
• Calculated formula: C28 H28 O7
• SMILES: c1(O)cc(cc(c1C1=CC(=O)[C@H]([C@@H](C1)c1ccc(c2ccccc12)OC)C(=O)OCC)OC)OC.c1(O)cc(cc(c1C1=CC(=O)[C@@H]([C@H](C1)c1ccc(c2ccccc12)OC)C(=O)OCC)OC)OC
• Title of publication: The crystal structure of ethyl 2′-hydroxy-4′,6′-dimethoxy-3-(4-methoxynaphthalen-1-yl)-5-oxo-2,3,4,5-tetrahydro-[1,1′-biphenyl]-4-carboxylate, C28H28O7
• Authors of publication: Shin, Soon Young; Lee, Ha-Jin; Koh, Dongsoo
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 1
• Pages of publication: 149 - 151
• a: 11.0746 ± 0.0018 Å
• b: 11.4312 ± 0.0017 Å
• c: 11.552 ± 0.002 Å
• α: 77.148 ± 0.008°
• β: 62.164 ± 0.008°
• γ: 67.858 ± 0.008°
• Cell volume: 1195.9 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0932
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1477
• Weighted residual factors for all reflections included in the refinement: 0.1862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No