Crystallography Open Database

Information card for entry 1552694

Preview

Coordinates	1552694.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23.33 H30.07 N0.67 O3.4
Calculated formula	C23.3333 H30.0667 N0.666667 O3.4
Title of publication	Ascomylactams A-C, Cytotoxic 12- or 13-Membered-Ring Macrocyclic Alkaloids Isolated from the Mangrove Endophytic Fungus <i>Didymella</i> sp. CYSK-4, and Structure Revisions of Phomapyrrolidones A and C.
Authors of publication	Chen, Yan; Liu, Zhaoming; Huang, Yun; Liu, Lan; He, Jianguo; Wang, Lan; Yuan, Jie; She, Zhigang
Journal of publication	Journal of natural products
Year of publication	2019
Journal volume	82
Journal issue	7
Pages of publication	1752 - 1758
a	11.6923 ± 0.0001 Å
b	7.0558 ± 0.0001 Å
c	19.0143 ± 0.0002 Å
α	90°
β	100.318 ± 0.001°
γ	90°
Cell volume	1543.28 ± 0.03 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0348
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.079
Weighted residual factors for all reflections included in the refinement	0.0814
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
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
222219 (current)	2019-11-04	cif/ Adding structures of 1552694 via cif-deposit CGI script.	1552694.cif