Crystallography Open Database

Information card for entry 2023554

2023553 << 2023554 >> 2023555

Preview

Coordinates	2023554.cif
Original IUCr paper	HTML

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 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
306862 (current)	2026-09-04	cif/ Adding structures of 2023554 via cif-deposit CGI script.	2023554.cif