Crystallography Open Database

Information card for entry 1564708

Preview

Coordinates	1564708.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C216 H235 N32 O44
Calculated formula	C216 H235 N32 O44
SMILES	CC(C)C[C@@H]1c2cc3c(O)c(c2O)C=NNC(=O)c2cccc(c2)C(=O)NN=Cc2c(O)c4cc(c2O)[C@@H](CC(C)C)c2c(O)c5c(O)c(c2)[C@@H](CC(C)C)c2c(O)c6C=NNC(=O)c7cccc(C(=O)NN=Cc8c(c9cc([C@@H](CC(C)C)c%10c(c(C=NNC(=O)c%11cccc(C(=O)NN=C5)c%11)c(O)c(c%10)[C@H](c5c(c%10c(c(c5)[C@H](c5c(c(C=NNC(=O)c%11cc(C(=O)NN=Cc%12c(c([C@H](c%13c(c(C=NNC(=O)c%14cc(C(=O)NN=C%10)ccc%14)c(c(c%13)[C@H]3CC(C)C)O)O)CC(C)C)cc([C@@H](c3c(c(C=NNC(=O)c%10cccc(C(=O)NN=Cc%13c(O)c([C@@H](c(c6O)c2)CC(C)C)cc(c%13O)[C@H]4CC(C)C)c%10)c(c1c3)O)O)CC(C)C)c%12O)O)ccc%11)c(c(c5)[C@H]9CC(C)C)O)O)CC(C)C)O)O)CC(C)C)O)c8O)O)c7.N(C=O)(C)C.N(C=O)(C)C.N(C=O)(C)C.O=CN(C)C.N(C=O)(C)C.N(C=O)(C)C.N(C=O)(C)C.N(C=O)(C)C
Title of publication	Water-Stable Hydrazone-Linked Porous Organic Cages
Authors of publication	Yang, Miao; Qiu, Fenglei; M. El-Sayed, El-Sayed; Wang, Wenjing; du, shunfu; Su, Kongzhao; Yuan, Daqiang
Journal of publication	Chemical Science
Year of publication	2021
a	33.0202 ± 0.001 Å
b	65.6703 ± 0.0015 Å
c	31.087 ± 0.0007 Å
α	90°
β	106.056 ± 0.003°
γ	90°
Cell volume	64781 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.15
Residual factor for significantly intense reflections	0.1045
Weighted residual factors for significantly intense reflections	0.3288
Weighted residual factors for all reflections included in the refinement	0.3764
Goodness-of-fit parameter for all reflections included in the refinement	1.255
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	1564708.cif
269264	2021-09-24	cif/ Adding structures of 1564707, 1564708, 1564709, 1564710, 1564711, 1564712, 1564713 via cif-deposit CGI script.	1564708.cif