Information card for entry 4116130

Structure parameters

• Formula: C16 H27 N O4
• Calculated formula: C16 H27 N O4
• Title of publication: Enantiospecific Synthesis of (+)-Byssochlamic Acid, a Nonadride from the Ascomycete Byssochlamysfulva
• Authors of publication: James D. White; Jungchul Kim; Nicholas E. Drapela
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 8665 - 8671
• a: 5.999 ± 0.002 Å
• b: 11.212 ± 0.002 Å
• c: 13.274 ± 0.003 Å
• α: 98.53 ± 0.01°
• β: 91.64 ± 0.02°
• γ: 96.5 ± 0.02°
• Cell volume: 876.3 ± 0.4 ų
• Cell temperature: 566 ± 2 K
• Ambient diffraction temperature: 566 ± 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: 0.0948
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.2339
• Weighted residual factors for all reflections included in the refinement: 0.2555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.78
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No