Information card for entry 4036495

Structure parameters

• Formula: C23 H26 Br N O
• Calculated formula: C23 H26 Br N O
• SMILES: Brc1c(c2oc(cc2N(C(C)C)C(C)C)c2ccccc2)ccc(c1)C
• Title of publication: LDA-Promoted Synthesis of 3-Amino Furans by Selective Lithiation of Enaminones.
• Authors of publication: Kong, Lingkai; Shao, Yushang; Li, Yanli; Liu, Yuanyuan; Li, Yanzhong
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 24
• Pages of publication: 12641 - 12645
• a: 10.2984 ± 0.001 Å
• b: 10.7386 ± 0.0011 Å
• c: 11.0409 ± 0.0011 Å
• α: 117.583 ± 0.002°
• β: 107.719 ± 0.002°
• γ: 91.208 ± 0.002°
• Cell volume: 1011.74 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No