Crystallography Open Database

Information card for entry 4037559

Preview

Coordinates	4037559.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H122 O25
Calculated formula	C100 H120 O25
Title of publication	Emeridones A-F, a Series of 3,5-Demethylorsellinic Acid-Based Meroterpenoids with Rearranged Skeletons from an Endophytic Fungus Emericella sp. TJ29.
Authors of publication	Li, Qin; Chen, Chunmei; Cheng, Li; Wei, Mengsha; Dai, Chong; He, Yan; Gong, Jiaojiao; Zhu, Runqi; Li, Xiao-Nian; Liu, Junjun; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui
Journal of publication	The Journal of organic chemistry
Year of publication	2019
Journal volume	84
Journal issue	3
Pages of publication	1534 - 1541
a	23.323 ± 0.0002 Å
b	25.0931 ± 0.0002 Å
c	7.6786 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	4493.87 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0562
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1599
Weighted residual factors for all reflections included in the refinement	0.1637
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
236338 (current)	2019-11-24	cif/ Adding structures of 4037559 via cif-deposit CGI script.	4037559.cif