Crystallography Open Database

Information card for entry 1546200

Preview

Coordinates	1546200.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30.5 H60.33333 O5.83333
Calculated formula	C30.6667 H54.3333 O5.66667
SMILES	O[C@@H]1C(C2=CC[C@@H]3[C@@]([C@@H]2CC1)(C)[C@H](O)C[C@]1([C@@]3(C)CC[C@@H]1[C@H](C)CC[C@@H](O)C(O)(C)C)C)(C)C.O.OC.O
Title of publication	Cucurbitane Glucosides from the Crude Extract of Siraitia grosvenorii with Moderate Effects on PGC-1α Promoter Activity.
Authors of publication	Niu, Biao; Ke, Chang-Qiang; Li, Bo-Han; Li, Yuanyuan; Yi, Yongji; Luo, Yongwei; Shuai, Lin; Yao, Sheng; Lin, Li-Gen; Li, Jia; Ye, Yang
Journal of publication	Journal of natural products
Year of publication	2017
Journal volume	80
Journal issue	5
Pages of publication	1428 - 1435
a	14.9136 ± 0.0006 Å
b	14.9888 ± 0.0006 Å
c	22.7918 ± 0.0009 Å
α	97.926 ± 0.002°
β	93.125 ± 0.002°
γ	114.454 ± 0.002°
Cell volume	4558.1 ± 0.3 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 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	0.0896
Residual factor for significantly intense reflections	0.0824
Weighted residual factors for significantly intense reflections	0.213
Weighted residual factors for all reflections included in the refinement	0.2199
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
217633 (current)	2019-08-21	cif/1: Fixing Z values and formulae	1546200.cif
197315	2017-06-04	cif/ Adding structures of 1546200 via cif-deposit CGI script.	1546200.cif