Crystallography Open Database

Information card for entry 1551480

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Structure parameters

Formula	C88 H28 F24
Calculated formula	C88 H28 F24
SMILES	[C@@H]12c3c(c(c(c(c3[C@@H](c3cc4C5c6cc7cc8c(c(c(c(c8cc7cc6C(c6cc7cc8c(c(c(c(c8cc7cc56)F)F)F)F)c4cc13)F)F)F)F)[C@H]1c3c([C@@H]2c2c1cc1C4c5cc6cc7c(c(c(c(c7cc6cc5C(c5cc6cc7c(c(c(c(c7cc6cc45)F)F)F)F)c1c2)F)F)F)F)c(c(c(c3F)F)F)F)F)F)F)F
Title of publication	A nanoporous two-dimensional polymer by single-crystal-to-single-crystal photopolymerization
Authors of publication	Patrick Kissel; Daniel J. Murray; William J. Wulftange; Vincent J. Catalano; Benjamin T. King
Journal of publication	Nature Chemistry
Year of publication	2014
Journal volume	6
Pages of publication	774 - 778
a	14.115 ± 0.004 Å
b	19.247 ± 0.005 Å
c	19.52 ± 0.005 Å
α	64.137 ± 0.004°
β	72.069 ± 0.004°
γ	84.957 ± 0.004°
Cell volume	4533 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2101
Residual factor for significantly intense reflections	0.1037
Weighted residual factors for significantly intense reflections	0.2428
Weighted residual factors for all reflections included in the refinement	0.2737
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1551480.cif
216052	2019-06-18	cif/ Adding structures of 1551480 via cif-deposit CGI script.	1551480.cif