Crystallography Open Database

Information card for entry 7229152

Preview

Coordinates	7229152.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	secopierisformoside N
Formula	C32 H42 O15.26
Calculated formula	C32 H42 O15.263
Title of publication	Biological and chemical guided isolation of 3,4-secograyanane diterpenoids from the roots of Pieris formosa
Authors of publication	Niu, Chang-Shan; Li, Yong; Liu, Yun-Bao; Ma, Shuang-Gang; Liu, Fei; Li, Li; Xu, Song; Wang, Xiao-Jing; Liu, Sheng; Wang, Ru-Bing; Qu, Jing; Yu, Shi-Shan
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	69
Pages of publication	43921
a	12.7605 ± 0.0003 Å
b	15.5108 ± 0.0005 Å
c	16.9324 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3351.35 ± 0.16 Å³
Cell temperature	102.8 K
Ambient diffraction temperature	102.8 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	0.0388
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0931
Weighted residual factors for all reflections included in the refinement	0.0951
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
200819 (current)	2017-09-13	cif/ Adding structures of 7229149, 7229150, 7229151, 7229152 via cif-deposit CGI script.	7229152.cif