Crystallography Open Database

Information card for entry 4035229

Preview

Coordinates	4035229.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H32 O7
Calculated formula	C26 H32 O7
SMILES	O1c2c(OC[C@H]1C(O)(C)C)cc(cc2[C@H]1OC(=O)c2c1c(ccc2O)CC=C(C)C)C.OC
Title of publication	Diaporindenes A-D: Four Unusual 2,3-Dihydro-1 H-indene Analogues with Anti-inflammatory Activities from the Mangrove Endophytic Fungus Diaporthe sp. SYSU-HQ3.
Authors of publication	Cui, Hui; Liu, Yena; Li, Jing; Huang, Xishan; Yan, Tao; Cao, Wenhao; Liu, Hongju; Long, Yuhua; She, Zhigang
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	19
Pages of publication	11804 - 11813
a	7.1755 ± 0.0003 Å
b	13.5398 ± 0.0004 Å
c	24.583 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2388.36 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0436
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.1016
Weighted residual factors for all reflections included in the refinement	0.1052
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
226704 (current)	2019-11-11	cif/ Adding structures of 4035229 via cif-deposit CGI script.	4035229.cif