Information card for entry 7101175

Structure parameters

• Formula: C14 H12 O3
• Calculated formula: C14 H12 O3
• SMILES: C1OCC[C@]23C(=O)c4ccccc4[C@H](C=C12)O3.C1OCC[C@@]23C(=O)c4ccccc4[C@@H](C=C12)O3
• Title of publication: A platinum-catalyzed annulation reaction leading to medium-sized rings
• Authors of publication: Hildebrandt, Dirk; Hüggenberg, Wiebke; Kanthak, Matthias; Plöger, Tobias; Müller, Iris M.; Dyker, Gerald
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2006
• Journal issue: 21
• Pages of publication: 2260 - 2261
• a: 10.592 ± 0.004 Å
• b: 6.912 ± 0.006 Å
• c: 15.076 ± 0.008 Å
• α: 90°
• β: 94.25 ± 0.03°
• γ: 90°
• Cell volume: 1100.6 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No