Crystallography Open Database

Information card for entry 1551479

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Structure parameters

Formula	C44 H14 F12
Calculated formula	C44 H14 F12
SMILES	C12c3cc4cc5c(c(c(c(c5cc4cc3C(c3cc4cc5c(c(c(c(c5cc4cc13)F)F)F)F)c1c2cc2cc3c(c(c(c(c3cc2c1)F)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	14.2786 ± 0.0006 Å
b	20.4647 ± 0.0009 Å
c	20.6937 ± 0.0009 Å
α	60.5 ± 0.001°
β	72.537 ± 0.001°
γ	85.477 ± 0.001°
Cell volume	5003 ± 0.4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 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	0.0863
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.167
Weighted residual factors for all reflections included in the refinement	0.1776
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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.	1551479.cif
273808	2022-03-18	cif/1: Fixing Z values and formulae	1551479.cif
216051	2019-06-18	cif/ Adding structures of 1551479 via cif-deposit CGI script.	1551479.cif