Information card for entry 7213251

Structure parameters

• Formula: C29 H39 N O7 Se
• Calculated formula: C29 H39 N O7 Se
• Title of publication: Synthetic studies on the pederin family of antitumour agents. Syntheses of mycalamide B, theopederin D and pederin
• Authors of publication: Kocienski, Philip; Narquizian, Robert; Raubo, Piotr; Smith, Christopher; Farrugia, Louis J.; Muir, Kenneth; Boyle, F. Thomas
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 15
• Pages of publication: 2357
• a: 8.5035 ± 0.0005 Å
• b: 10.0704 ± 0.0009 Å
• c: 17.6777 ± 0.0006 Å
• α: 90°
• β: 103.768 ± 0.003°
• γ: 90°
• Cell volume: 1470.31 ± 0.17 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1014
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No