Crystallography Open Database

Information card for entry 1564709

Preview

Coordinates	1564709.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C136 H194 N24 O32
Calculated formula	C136 H194 N24 O32
SMILES	c12c(c3cc(c1O)[C@H](c1cc4c(O)c(c1O)/C=N/NC(=O)CCC(=O)N/N=C/c1c(O)c5[C@H](c6c(O)c(c(O)c(c6)[C@H](c6cc7[C@H](c8cc([C@H](c(c1O)c5)CC(C)C)c(c(c8O)/C=N/NC(=O)CCC(=O)N/N=C/c1c(O)c(cc(c1O)[C@H](c1c(O)c(c(O)c(c1)[C@H]3CC(C)C)/C=N/NC(=O)CCC(=O)N/N=C/c(c6O)c7O)CC(C)C)[C@@H]4CC(C)C)O)CC(C)C)CC(C)C)/C=N/NC(=O)CCC(=O)N/N=C/2)CC(C)C)CC(C)C)O.N(C=O)(C)C.CN(C)C=O.CN(C)C=O.CN(C)C=O.N(C=O)(C)C.CN(C)C=O.CN(C)C=O.CN(C)C=O
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	15.5943 ± 0.0008 Å
b	18.0748 ± 0.0009 Å
c	19.3687 ± 0.0008 Å
α	114.995 ± 0.005°
β	95.009 ± 0.004°
γ	112.025 ± 0.005°
Cell volume	4386.3 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1243
Residual factor for significantly intense reflections	0.1067
Weighted residual factors for significantly intense reflections	0.3005
Weighted residual factors for all reflections included in the refinement	0.3326
Goodness-of-fit parameter for all reflections included in the refinement	1.264
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
269264 (current)	2021-09-24	cif/ Adding structures of 1564707, 1564708, 1564709, 1564710, 1564711, 1564712, 1564713 via cif-deposit CGI script.	1564709.cif