Crystallography Open Database

Information card for entry 1564710

Preview

Coordinates	1564710.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C152 H228 N28 O36
Calculated formula	C152 H228 N28 O38
SMILES	c1(c2c(c3cc1[C@H](c1c(c4c(c(c1)[C@H](c1c(c5c(c(c1)[C@H](c1cc(c(c(c1O)/C=N/NC(=O)CCCC(=O)N/N=C/c1c(c6[C@H](c7c(c(c(c(c7)[C@H](c7cc([C@H](c8c(c(c(c([C@H](c(c1O)c6)CC(C)C)c8)O)/C=N/NC(CCCC(=O)N/N=C/2)=O)O)CC(C)C)c(c(c7O)/C=N/NC(=O)CCCC(=O)N/N=C/4)O)CC(C)C)O)/C=N/NC(=O)CCCC(N/N=C/5)=O)O)CC(C)C)O)O)[C@H]3CC(C)C)CC(C)C)O)O)CC(C)C)O)O)CC(C)C)O)O.CN(C=O)C.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C.CN(C=O)C.C(=O)N(C)C.O.N(C=O)(C)C.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(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	17.5086 ± 0.001 Å
b	17.6121 ± 0.0009 Å
c	19.7087 ± 0.0011 Å
α	95.171 ± 0.004°
β	107.534 ± 0.005°
γ	119.643 ± 0.006°
Cell volume	4822.4 ± 0.6 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	0.1509
Residual factor for significantly intense reflections	0.1175
Weighted residual factors for significantly intense reflections	0.3635
Weighted residual factors for all reflections included in the refinement	0.3932
Goodness-of-fit parameter for all reflections included in the refinement	1.421
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.	1564710.cif