Information card for entry 7153888

Structure parameters

• Chemical name: Dimethyl 3-phenylnaphtho[1,2-b]furan-2,2(3H)-bis(carbimidate)
• Formula: C22 H20 N2 O3
• Calculated formula: C22 H20 N2 O3
• SMILES: O1c2c(C(c3ccccc3)C1(C(OC)=N)C(OC)=N)ccc1c2cccc1
• Title of publication: "One-pot" access to dihydrofurans via tandem oxidative difunctionalization and ring contraction of aminopyrans.
• Authors of publication: Mandha, Santhosh Reddy; Alla, Manjula; Nanubolu, Jagadeesh Babu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 25
• Pages of publication: 4412 - 4420
• a: 15.9828 ± 0.0014 Å
• b: 6.8208 ± 0.0006 Å
• c: 34.232 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3731.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No