Information card for entry 7107079

Structure parameters

• Common name: Halichonine B HCl complex
• Formula: C58 H108 Cl4 N4 O5
• Calculated formula: C58 H108 Cl4 N4 O5
• Title of publication: Halichonines A, B, and C, Novel Cytotoxic Alkaloids from the Marine Sponge <i>Halichondria okadai</i> Kadota
• Authors of publication: Osamu Ohno; Tatsuhiko Chiba; Seiji Todoroki; Hideaki Yoshimura; Norihito Maru; Ken Maekawa; Hiroshi Imagawa; Kaoru Yamada; Atsushi Wakamiya; Kiyotake Suenaga; Daisuke Uemura
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 12453
• a: 18.13 ± 0.008 Å
• b: 6.686 ± 0.005 Å
• c: 27.098 ± 0.017 Å
• α: 90°
• β: 98.098 ± 0.017°
• γ: 90°
• Cell volume: 3252 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.2588
• Residual factor for significantly intense reflections: 0.1352
• Weighted residual factors for significantly intense reflections: 0.3374
• Weighted residual factors for all reflections included in the refinement: 0.4198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No