Information card for entry 7159200

Structure parameters

• Common name: (tert-butyl (S,E)-(6-hydroxy-2-methylhex-4-en-3-yl)carbamate)
• Chemical name: (tert-butyl (S,E)-(6-hydroxy-2-methylhex-4-en-3-yl)carbamate)
• Formula: C12 H23 N O3
• Calculated formula: C12 H23 N O3
• Title of publication: Stereoselective synthesis of backbone extended π-conjugated amino esters.
• Authors of publication: Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 12
• Pages of publication: 2586 - 2595
• a: 6.3864 ± 0.001 Å
• b: 10.5866 ± 0.0017 Å
• c: 19.684 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1330.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No