Information card for entry 4032696

Structure parameters

• Formula: C41 H58 O13
• Calculated formula: C41 H58 O13
• Title of publication: Unified Synthesis of Right Halves of Halichondrins A-C.
• Authors of publication: Yahata, Kenzo; Ye, Ning; Iso, Kentaro; Naini, Santhosh Reddy; Yamashita, Shuji; Ai, Yanran; Kishi, Yoshito
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 17
• Pages of publication: 8792 - 8807
• a: 11.0301 ± 0.0001 Å
• b: 17.6976 ± 0.0003 Å
• c: 19.2949 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3766.49 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0396
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No