Information card for entry 1553980

Structure parameters

• Formula: C14 H15 N O4
• Calculated formula: C14 H15 N O4
• SMILES: c1(ccc(cc1)[C@H]1[C@H]2C(=CCCO2)CCO1)N(=O)=O.c1(ccc(cc1)[C@@H]1[C@@H]2C(=CCCO2)CCO1)N(=O)=O
• Title of publication: Tandem Prins-type cyclization for the stereoselective construction of fused polycyclic ring systems
• Authors of publication: Someswarao, B.; P., Rasvan Khan; Reddy, B. Jagan Mohan; B., Sridhar; B., V. Subba Reddy
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 8
• Pages of publication: 1320
• a: 13.13 ± 0.04 Å
• b: 12.87 ± 0.04 Å
• c: 7.8 ± 0.02 Å
• α: 90°
• β: 105.51 ± 0.02°
• γ: 90°
• Cell volume: 1270 ± 6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• 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: 0.1204
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1725
• Weighted residual factors for all reflections included in the refinement: 0.2015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No