Information card for entry 7159201

Structure parameters

• Common name: (tert-butyl (S,E)-(1-hydroxy-6-methylhept-2-en-4-yl)carbamate)
• Chemical name: (tert-butyl (S,E)-(1-hydroxy-6-methylhept-2-en-4-yl)carbamate)
• Formula: C13 H25 N O3
• Calculated formula: C13 H25 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: 11.178 ± 0.007 Å
• b: 21.505 ± 0.013 Å
• c: 6.138 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1475.5 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1257
• Residual factor for significantly intense reflections: 0.0942
• Weighted residual factors for significantly intense reflections: 0.2125
• Weighted residual factors for all reflections included in the refinement: 0.2317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No