Information card for entry 7125467

Structure parameters

• Formula: C23 H38 N2 O4 S2
• Calculated formula: C23 H38 N2 O4 S2
• Title of publication: A new stereoselective approach to the manzamine alkaloids
• Authors of publication: Coldham, Iain; Crapnell, Katherine M.; Fernàndez, Joan-Carles; Haxell, Thomas F. N.; Treacy, Alan B.; Coles, Simon J.; Hursthouse, Michael B.; Moseley, Jonathan D.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 17
• Pages of publication: 1757
• a: 9.891 ± 0.002 Å
• b: 10.419 ± 0.002 Å
• c: 13.574 ± 0.003 Å
• α: 67.91 ± 0.03°
• β: 74.89 ± 0.03°
• γ: 87.88 ± 0.03°
• Cell volume: 1248.4 ± 0.6 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: 0.0931
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1593
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No