Information card for entry 1511912

Structure parameters

• Common name: ? Ansa Naphthaldehyde
• Chemical name: tert-butyl 5-formyl-1,4,6-trimethoxy-7-methylnaphthalen-2-ylcarbamate ?
• Formula: C20 H25 N O6
• Calculated formula: C20 H25 N O6
• SMILES: COc1c(NC(=O)OC(C)(C)C)cc(c2c1cc(C)c(c2C=O)OC)OC
• Title of publication: Studies toward Total Synthesis of Divergolides C and D
• Authors of publication: Rasapalli, Sivappa; Jarugumilli, Gopalakrishna; Yarrapothu, Gangadhara Rao; Golen, James A.; Rheingold, Arnold L.
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 7
• Pages of publication: 1736
• a: 9.8884 ± 0.001 Å
• b: 9.9615 ± 0.001 Å
• c: 11.2817 ± 0.001 Å
• α: 86.326 ± 0.003°
• β: 68.916 ± 0.003°
• γ: 65.816 ± 0.003°
• Cell volume: 941.35 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No