Information card for entry 7155787

Structure parameters

• Formula: C25 H18 O5
• Calculated formula: C25 H18 O5
• SMILES: c1(=O)c2[C@@H]([C@@H](C(=O)c3ccc(cc3)OC)Oc2c2c(cccc2)o1)c1ccccc1.c1(=O)c2[C@H]([C@H](C(=O)c3ccc(cc3)OC)Oc2c2c(cccc2)o1)c1ccccc1
• Title of publication: An efficient one-pot approach for the regio and diastereoselective synthesis of trans-dihydrofuran derivatives: Cytotoxicity and DNA-binding studies
• Authors of publication: Tangella, Yellaiah; Kesari, Manasa Lakshmi; V, Lakshma Nayak; Manda, Sathish; Balasubramanian, Sridhar; Alarifi, Abd-Allah; Nagesh, Narayana; Kamal, Ahmed
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 7.5463 ± 0.001 Å
• b: 21.489 ± 0.003 Å
• c: 12.4234 ± 0.0017 Å
• α: 90°
• β: 105.179 ± 0.002°
• γ: 90°
• Cell volume: 1944.3 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No