Information card for entry 4112463

Structure parameters

• Formula: C19 H25 N O6 S
• Calculated formula: C19 H25 N O6 S
• SMILES: S(=O)(=O)(Oc1cc([C@@H]2[C@@H]3[C@H](C[NH+]=C4[C@H]3[C@H](CCC4)C=C2)C)cc(O)c1)[O-].O
• Title of publication: Symbioimine Exhibiting Inhibitory Effect of Osteoclast Differentiation, from the Symbiotic Marine Dinoflagellate Symbiodinium sp.
• Authors of publication: Masaki Kita; Mikiko Kondo; Tomoyuki Koyama; Kaoru Yamada; Tsuyosi Matsumoto; Kun-Hyung Lee; Je-Tae Woo; Daisuke Uemura
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 4794 - 4795
• a: 7.055 ± 0.002 Å
• b: 15.043 ± 0.005 Å
• c: 17.448 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1851.7 ± 1 ų
• Cell temperature: 123.2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No