Crystallography Open Database

Information card for entry 7061162

Preview

Coordinates	7061162.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H36 O14
Calculated formula	C34 H36 O14
SMILES	O.O(c1c(c2C(=O)C3=C(C(=O)c2c(O)c1)[C@H](O[C@@H](C3)C)C)c1c2[C@H](O)[C@H](O[C@@H](c2c(O)c2C(=O)C=C(OCOC)C(=O)c12)C)C)COC
Title of publication	Strong acid-promoted skeletal remodeling of the aphid pigment: red uroleuconaphin to green viridaphin
Authors of publication	Ozakai, Chiharu; Kitamura, Kei; Horikawa, Mitsuyo; Hoshiyama, To-sho; Imamura, Akari; Yoneyama, Tatsuro; Umeyama, Akemi; Noji, Masaaki; Tsunoda, Tetsuto; Kaku, Hiroto
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	6
Pages of publication	2600 - 2604
a	10.2753 ± 0.0013 Å
b	15.0618 ± 0.0019 Å
c	19.894 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3078.9 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0639
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.0945
Weighted residual factors for all reflections included in the refinement	0.103
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
273391 (current)	2022-03-05	cif/ Updating files of 7061162 Original log message: Adding full bibliography for 7061162.cif.	7061162.cif
271572	2021-12-22	cif/ Adding structures of 7061162 via cif-deposit CGI script.	7061162.cif