Crystallography Open Database

Information card for entry 1556260

Preview

Coordinates	1556260.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H40 O6
Calculated formula	C28 H40 O6
SMILES	C12=CC(=O)C(=C3[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CC[C@@H](/C=C(/C[C@H](C[C@@H]([C@](O)(O1)C=C23)C)C)C)C)C)O)C)O
Title of publication	Cytotoxic Kendomycins Containing the Carbacylic <i>Ansa</i> Scaffold from the Marine-Derived <i>Verrucosispora</i> sp. SCSIO 07399.
Authors of publication	Zhang, Shanwen; Xie, Qing; Sun, Changli; Tian, Xin-Peng; Gui, Chun; Qin, Xiangjing; Zhang, Hua; Ju, Jianhua
Journal of publication	Journal of natural products
Year of publication	2019
a	10.5277 ± 0.0003 Å
b	18.7745 ± 0.0006 Å
c	16.6567 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3292.2 ± 0.2 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	3
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0703
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1683
Weighted residual factors for all reflections included in the refinement	0.1776
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
277994 (current)	2022-09-20	cif/1: Fixing Z values and formulae --Esta linea y las que estan cidebajo seran ignoradas-- M 1/50/17/1501756.cif M 1/55/00/1550096.cif M 1/55/00/1550097.cif M 1/55/10/1551036.cif M 1/55/10/1551093.cif M 1/55/11/1551166.cif M 1/55/12/1551258.cif M 1/55/14/1551470.cif M 1/55/17/1551763.cif M 1/55/18/1551829.cif M 1/55/18/1551858.cif M 1/55/26/1552627.cif M 1/55/29/1552921.cif M 1/55/29/1552935.cif M 1/55/34/1553467.cif M 1/55/36/1553602.cif M 1/55/40/1554076.cif M 1/55/45/1554520.cif M 1/55/46/1554608.cif M 1/55/46/1554630.cif M 1/55/50/1555098.cif M 1/55/55/1555541.cif M 1/55/56/1555698.cif M 1/55/57/1555759.cif M 1/55/62/1556260.cif M 1/55/70/1557018.cif M 1/55/70/1557019.cif M 1/55/78/1557811.cif M 1/55/84/1558435.cif M 1/55/85/1558584.cif M 1/55/86/1558679.cif M 1/55/90/1559044.cif M 1/55/93/1559358.cif M 1/55/94/1559474.cif M 1/55/94/1559475.cif M 1/55/98/1559884.cif M 1/55/99/1559911.cif M 1/56/01/1560138.cif M 1/56/15/1561557.cif M 1/56/22/1562206.cif M 1/56/22/1562220.cif M 1/56/27/1562701.cif M 1/56/31/1563166.cif M 1/56/33/1563318.cif M 1/56/39/1563980.cif M 1/56/40/1564076.cif M 1/56/42/1564245.cif M 1/56/45/1564581.cif M 1/56/46/1564685.cif M 1/56/47/1564708.cif M 1/56/49/1564974.cif M 1/56/50/1565031.cif M 1/56/51/1565186.cif M 1/56/55/1565579.cif M 1/56/56/1565610.cif M 1/56/60/1566073.cif M 1/56/60/1566076.cif M 1/56/63/1566370.cif	1556260.cif
243744	2019-11-27	cif/ Adding structures of 1556260 via cif-deposit CGI script.	1556260.cif