Crystallography Open Database

Information card for entry 1545304

Preview

Coordinates	1545304.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H28 N0 O3
Calculated formula	C20 H28 O3
SMILES	O1[C@]2(O)[C@@H]3[C@]([C@@]4([C@@H](C2)C)CCC(=C2C(=O)C[C@]2([C@@H]4C3)C)C)(C)C1
Title of publication	Two Furanharzianones with 4/7/5/6/5 Ring System from Microbial Transformation of Harzianone.
Authors of publication	Zhang, Min; Liu, Jimei; Chen, Ridao; Zhao, Jinlian; Xie, Kebo; Chen, Dawei; Feng, Keping; Dai, Jungui
Journal of publication	Organic letters
Year of publication	2017
Journal volume	19
Journal issue	5
Pages of publication	1168 - 1171
a	8.502 ± 0.002 Å
b	25.02 ± 0.005 Å
c	32.864 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	6991 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.1396
Residual factor for significantly intense reflections	0.0955
Weighted residual factors for significantly intense reflections	0.2228
Weighted residual factors for all reflections included in the refinement	0.2496
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
193630 (current)	2017-03-04	cif/ Updating files of 1545304 Original log message: Adding full bibliography for 1545304.cif.	1545304.cif
192428	2017-02-22	cif/ Adding structures of 1545304 via cif-deposit CGI script.	1545304.cif