Crystallography Open Database

Information card for entry 7229150

Preview

Coordinates	7229150.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	secopierisformoside A
Formula	C33 H44 O16
Calculated formula	C33 H44 O16
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	8.6705 ± 0.0004 Å
b	18.615 ± 0.0009 Å
c	18.7494 ± 0.0007 Å
α	64.176 ± 0.004°
β	89.183 ± 0.003°
γ	76.713 ± 0.004°
Cell volume	2638.3 ± 0.2 Å³
Cell temperature	104.3 K
Ambient diffraction temperature	104.3 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	0.0467
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1138
Weighted residual factors for all reflections included in the refinement	0.1165
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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.	7229150.cif