Crystallography Open Database

Information card for entry 1564711

Preview

Coordinates	1564711.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C256 H252 N32 O48
Calculated formula	C256 H264 N32 O48
SMILES	c12c(c3cc(c1O)[C@@H](c1cc4c(O)c(c1O)/C=N/NC(=O)c1cccc(c1)C(=O)N/N=C/c1c(c5[C@@H](c6c(O)c(/C=N/NC(=O)c7cc(C(=O)N/N=C/2)ccc7)c(c(c6)[C@@H](c2cc6c(c(c2O)/C=N/NC(=O)c2cc(C(=O)N/N=C/c7c(O)c8[C@H](CC(C)C)c9c(c%10c(c(c9)[C@@H](c9cc([C@@H](c%11c(c(c(c([C@@H](c(c7O)c8)CC(C)C)c%11)O)/C=N/NC(=O)c7cc(ccc7)C(=O)N/N=C/c7c(O)c([C@@H](c(c1O)c5)CC(C)C)cc(c7O)[C@H]6CC(C)C)O)CC(C)C)c(O)c(c9O)/C=N/NC(=O)c1cccc(c1)C(=O)N/N=C/c1c(c5[C@@H](c6c(O)c(/C=N/NC(=O)c7cc(C(=O)N/N=C/%10)ccc7)c(c(c6)[C@@H](c6cc7c(c(c6O)/C=N/NC(=O)c6cccc(C(=O)N/N=C/c8c(O)c([C@@H]3CC(C)C)cc(c8O)[C@H](c3c(c(c(c(c3)[C@H]4CC(C)C)O)/C=N/NC(=O)c3cc(ccc3)C(=O)N/N=C/c3c(O)c([C@@H](c(c1O)c5)CC(C)C)cc(c3O)[C@H]7CC(C)C)O)CC(C)C)c6)O)CC(C)C)O)CC(C)C)O)CC(C)C)O)O)ccc2)O)CC(C)C)O)CC(C)C)O)CC(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	56.553 ± 0.002 Å
b	15.3485 ± 0.0007 Å
c	60.22 ± 0.003 Å
α	90°
β	115.851 ± 0.006°
γ	90°
Cell volume	47040 ± 4 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	0.2017
Residual factor for significantly intense reflections	0.1279
Weighted residual factors for significantly intense reflections	0.3742
Weighted residual factors for all reflections included in the refinement	0.4259
Goodness-of-fit parameter for all reflections included in the refinement	1.123
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.	1564711.cif