Information card for entry 1551709

Structure parameters

• Formula: C15 H12 O3
• Calculated formula: C15 H12 O3
• SMILES: c1cccc2ccc3oc(cc3c12)C(=O)OCC
• Title of publication: Synthesis and Structural Studies of Ethylnaphtho[2,1-b]furan-2-carboxylate
• Authors of publication: SHRUTHI, E.; KUMAR, S. Madan; KUSUMA, K.; MANJUNATH, H. R.; VAIDYA, V. P.; SRIDHAR, M. A.; LOKANATH, N. K.
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2012
• Journal volume: 28
• Pages of publication: 23
• a: 13.112 ± 0.004 Å
• b: 5.91 ± 0.001 Å
• c: 18.657 ± 0.005 Å
• α: 90°
• β: 123.785 ± 0.006°
• γ: 90°
• Cell volume: 1201.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.11
• Residual factor for significantly intense reflections: 0.0929
• Weighted residual factors for significantly intense reflections: 0.2803
• Weighted residual factors for all reflections included in the refinement: 0.3228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.316
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No