Crystallography Open Database

Information card for entry 1554567

Preview

Coordinates	1554567.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H24 O7
Calculated formula	C22 H24 O7
Title of publication	Cytorhizophins A and B, benzophenone-hemiterpene adducts from the endophytic fungus Cytospora rhizophorae
Authors of publication	Liu, Hongxin; Tan, Haibo; Wang, Wenxuan; Zhang, Wenge; Chen, Yuchan; Li, Saini; Liu, Zhaoming; Li, Haohua; Zhang, Weimin
Journal of publication	Organic Chemistry Frontiers
Year of publication	2019
Journal volume	6
Journal issue	5
Pages of publication	591
a	9.1375 ± 0.0001 Å
b	13.1527 ± 0.0002 Å
c	16.354 ± 0.0003 Å
α	95.187 ± 0.001°
β	95.294 ± 0.001°
γ	103.04 ± 0.001°
Cell volume	1894.04 ± 0.05 Å³
Cell temperature	100 ± 0.18 K
Ambient diffraction temperature	100 ± 0.18 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0398
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0984
Weighted residual factors for all reflections included in the refinement	0.1009
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
237352 (current)	2019-11-24	cif/ Adding structures of 1554567, 1554568 via cif-deposit CGI script.	1554567.cif