Information card for entry 7100468

Structure parameters

• Formula: C18 H16 O4
• Calculated formula: C18 H16 O4
• SMILES: O=C(OC)/C(=C(c1ccccc1)\C(=O)OC)c1ccccc1
• Title of publication: Rhodium Catalyzed Three-Component Reaction of Diazoacetates, Titanium(IV) Alkoxides and Aldehydes
• Authors of publication: Wenhao Hu; Zhi Yong Chen; Hui Liu; Chong Dao Lu; Ai-Qiao Mi
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 8.8668 ± 0.0012 Å
• b: 8.7122 ± 0.0012 Å
• c: 19.668 ± 0.003 Å
• α: 90°
• β: 94.189 ± 0.003°
• γ: 90°
• Cell volume: 1515.3 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No