Information card for entry 4120188

Structure parameters

• Formula: C30 H44 Cl2 F6 N8 O10 S3
• Calculated formula: C30 H44 Cl2 F6 N8 O10 S3
• Title of publication: Small-Molecule-Induced Clustering of Heparan Sulfate Promotes Cell Adhesion
• Authors of publication: Naohiro Takemoto; Tetsuya Suehara; Heidie L. Frisco; Shin-ichi Sato; Takuhito Sezaki; Kosuke Kusamori; Yoshinori Kawazoe; Sun Min Park; Sayumi Yamazoe; Yoshiyuki Mizuhata; Rintaro Inoue; Gavin J. Miller; Steen U. Hansen; Gordon C. Jayson; John M. Gardiner; Toshiji Kanaya; Norihiro Tokitoh; Kazumitsu Ueda; Yoshinobu Takakura; Noriyuki Kioka; Makiya Nishikawa; Motonari Uesugi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 11032 - 11039
• a: 13.314 ± 0.0007 Å
• b: 13.6374 ± 0.0006 Å
• c: 22.7765 ± 0.0012 Å
• α: 99.1974 ± 0.0018°
• β: 91.652 ± 0.002°
• γ: 95.523 ± 0.005°
• Cell volume: 4059.3 ± 0.4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1712
• Residual factor for significantly intense reflections: 0.0914
• Weighted residual factors for significantly intense reflections: 0.2132
• Weighted residual factors for all reflections included in the refinement: 0.2692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No