Crystallography Open Database

Information card for entry 7120578

7120577 << 7120578 >> 7120579

Preview

Coordinates	7120578.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Lactamycin
Formula	C20 H16 N O4.5
Calculated formula	C20 H16 N O4.5
SMILES	O.O(C)c1c2c(C3(Oc4cc(C)cc5ccc(O)c3c45)NC2=O)ccc1
Title of publication	Isolation, Structure Elucidation and Racemization of (+)- and (−)-Pratensilins A‒C, Unprecedented Spiro Indolinone-naphthofuran Alkaloids from a Marine Streptomyces sp.
Authors of publication	Zhang, Shumin; Yang, Qin; Guo, Lin; Zhang, Ying; Feng, Lingling; Zhou, Ling; Yang, Shengxiang; Yao, Qingshou; Pescitelli, Gennaro; Zeping, Xie
Journal of publication	Chem. Commun.
Year of publication	2017
a	8.5611 ± 0.0002 Å
b	11.5649 ± 0.0003 Å
c	17.2271 ± 0.0005 Å
α	94.139 ± 0.001°
β	95.14 ± 0.001°
γ	109.689 ± 0.001°
Cell volume	1589.89 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0384
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0943
Weighted residual factors for all reflections included in the refinement	0.0961
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
203412 (current)	2017-11-21	cif/7 Fixing Z values and formulae accordingly.	7120578.cif
199841	2017-08-19	cif/ Adding structures of 7120578, 7120579, 7120580 via cif-deposit CGI script.	7120578.cif