Information card for entry 7110581

Structure parameters

• Formula: C22 H24 O2
• Calculated formula: C22 H24 O2
• SMILES: O=C1[C@H](OCC)[C@@H](CCC\1=C/c1ccccc1)Cc1ccccc1.O=C1[C@@H](OCC)[C@H](CCC\1=C/c1ccccc1)Cc1ccccc1
• 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: 9.028 ± 0.004 Å
• b: 8.436 ± 0.008 Å
• c: 24.179 ± 0.008 Å
• α: 90°
• β: 99.328°
• γ: 90°
• Cell volume: 1817 ± 2 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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 significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.0645
• Goodness-of-fit parameter for significantly intense reflections: 1.1501
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No