Crystallography Open Database

Information card for entry 1556569

Preview

Coordinates	1556569.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H70 O13
Calculated formula	C40 H70 O13
Title of publication	Antinociceptive Grayanane Diterpenoids from the Leaves of <i>Pieris japonica</i>.
Authors of publication	Zheng, Guijuan; Zhou, Junfei; Huang, Lang; Zhang, Hao; Sun, Na; Zhang, Hanqi; Jin, Pengfei; Yue, Mingbo; Meng, Lingkui; Yao, Guangmin
Journal of publication	Journal of natural products
Year of publication	2019
Journal volume	82
Journal issue	12
Pages of publication	3330 - 3339
a	22.86913 ± 0.00011 Å
b	10.48269 ± 0.00004 Å
c	8.06194 ± 0.00003 Å
α	90°
β	90°
γ	90°
Cell volume	1932.69 ± 0.014 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	3
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0259
Residual factor for significantly intense reflections	0.0258
Weighted residual factors for significantly intense reflections	0.0688
Weighted residual factors for all reflections included in the refinement	0.0688
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
246571 (current)	2020-01-04	cif/ Updating files of 1556567, 1556568, 1556569, 1556570, 1556571, 1556572 Original log message: Adding full bibliography for 1556567--1556572.cif.	1556569.cif
245129	2019-12-14	cif/ Adding structures of 1556569 via cif-deposit CGI script.	1556569.cif