Information card for entry 2023554

Structure parameters

• Common name: Fucoxanthin
• Chemical name: (1<i>S</i>,3<i>R</i>)-3-hydroxy-4-[(3<i>Z</i>,5<i>E</i>,7<i>Z</i>,9<i>E</i>,11<i>Z</i>,13<i>E</i>,15<i>Z</i>)-18-{(1<i>S</i>,4<i>S</i>,6<i>R</i>)-4-Hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octaen-1-ylidene]-3,5,5-trimethylcyclohexyl acetate
• Formula: C46 H68 O7
• Calculated formula: C46 H68 O7
• Title of publication: Crystal structure of fucoxanthin: resolving a long-standing crystallographic challenge
• Authors of publication: Wakasa, Yui; Minoura, Mao
• Journal of publication: Acta Crystallographica Section C Structural Chemistry
• Year of publication: 2026
• Journal volume: 82
• Journal issue: 10
• a: 7.9162 ± 0.0009 Å
• b: 13.1285 ± 0.0016 Å
• c: 21.944 ± 0.003 Å
• α: 101.178 ± 0.002°
• β: 99.094 ± 0.002°
• γ: 96.991 ± 0.002°
• Cell volume: 2181.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.4132 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No