Information card for entry 7110582

Structure parameters

• Formula: C23 H24 O3
• Calculated formula: C23 H24 O3
• SMILES: O1C(=O)C(=C2CC[C@@H]([C@@H](OCC)[C@H]12)Cc1ccccc1)c1ccccc1.O1C(=O)C(=C2CC[C@H]([C@H](OCC)[C@@H]12)Cc1ccccc1)c1ccccc1
• Title of publication: Reaction of N-methyldihydropyridines with alkoxycarbene complexes of chromium and tungsten: sequential use of three carbonyl ligands of Cr(CO)6 for the formation of polyoxygenated compounds
• Authors of publication: Rudler, Henri; Parlier, Andrée; Martin-Vaca, Blanca; Garrier, Eva; Vaissermann, Jacqueline
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 15
• Pages of publication: 1439
• a: 11.198 ± 0.005 Å
• b: 6.867 ± 0.001 Å
• c: 12.192 ± 0.018 Å
• α: 90°
• β: 90.26 ± 0.07°
• γ: 90°
• Cell volume: 937.5 ± 1.5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.0643
• Goodness-of-fit parameter for significantly intense reflections: 1.0758
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No