Information card for entry 7100471

Structure parameters

• Formula: C10 H6 I N O3
• Calculated formula: C10 H6 I N O3
• SMILES: Ic1cc(oc1)c1ccc(N(=O)=O)cc1
• 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: 8.2679 ± 0.0001 Å
• b: 11.0675 ± 0.0001 Å
• c: 22.2477 ± 0.0002 Å
• α: 84.927 ± 0.001°
• β: 83.749 ± 0.001°
• γ: 88.385 ± 0.001°
• Cell volume: 2015.39 ± 0.04 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No