Crystallography Open Database

Information card for entry 7061769

Preview

Coordinates	7061769.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H72 O26
Calculated formula	C68 H72 O26
Title of publication	Base-induced isomerization of red uroleuconaphins revisited: characterization and absolute stereochemistry of the yellow aphid pigments uroleuconaphins A2 and B2
Authors of publication	Ozakai, Chiharu; Kitamura, Kei; Horikawa, Mitsuyo; Tsunoda, Tetsuto; Kaku, Hiroto
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	34
Pages of publication	16256 - 16259
a	11.4954 ± 0.0007 Å
b	20.8647 ± 0.0013 Å
c	13.5984 ± 0.0009 Å
α	90°
β	110.359 ± 0.001°
γ	90°
Cell volume	3057.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0475
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0915
Weighted residual factors for all reflections included in the refinement	0.0961
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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