Information card for entry 7151735

Structure parameters

• Formula: C11 H10 O3
• Calculated formula: C11 H10 O3
• SMILES: O1C(=O)C[C@@H]2[C@@H](c3ccccc3[C@H]12)O.O1C(=O)C[C@H]2[C@H](c3ccccc3[C@@H]12)O
• Title of publication: Aromatic A-ring analogues of orobanchol, new germination stimulants for seeds of parasitic weeds.
• Authors of publication: Malik, Heetika; Kohlen, Wouter; Jamil, Muhammad; Rutjes, Floris P. J. T.; Zwanenburg, Binne
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 7
• Pages of publication: 2286 - 2293
• a: 8.3372 ± 0.0004 Å
• b: 10.931 ± 0.0007 Å
• c: 9.7141 ± 0.0003 Å
• α: 90°
• β: 94.165 ± 0.003°
• γ: 90°
• Cell volume: 882.95 ± 0.08 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 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: 0.0537
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections: 0.1012
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections: 1.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No