Information card for entry 1505538

Structure parameters

• Formula: C15 H12 Cl2 O2
• Calculated formula: C15 H12 Cl2 O2
• SMILES: Clc1c(Cl)ccc(c2c3OCCc3c(O)cc2C)c1
• Title of publication: Lewis acid mediated reactions of 1-cyclopropyl-2-arylethanones with allenic esters: a facile synthetic protocol for the preparation of dihydrofuro[2,3-h]chromen-2-one derivatives.
• Authors of publication: Shi, Min; Tang, Xiang-Ying; Yang, Yong-Hua
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 20
• Pages of publication: 4017 - 4020
• a: 7.545 ± 0.0008 Å
• b: 12.3334 ± 0.0013 Å
• c: 15.3243 ± 0.0016 Å
• α: 77.685 ± 0.002°
• β: 80.438 ± 0.002°
• γ: 74.498 ± 0.002°
• Cell volume: 1333.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No