Crystallography Open Database

Information card for entry 1545010

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Structure parameters

Formula	C72 H50 F12
Calculated formula	C72 H50 F12
Title of publication	Edge-Functionalized Graphene Nanoribbon Frameworks for the Capture and Separation of Greenhouse Gases
Authors of publication	Byun, Yearin; Cho, Moses; Kim, Daeok; Jung, Yousung; Coskun, Ali
Journal of publication	Macromolecules
Year of publication	2017
a	21.1206 ± 0.0008 Å
b	21.8158 ± 0.0009 Å
c	15.5581 ± 0.0006 Å
α	90°
β	111.402 ± 0.003°
γ	90°
Cell volume	6674.3 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
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	0.1759
Residual factor for significantly intense reflections	0.0759
Weighted residual factors for significantly intense reflections	0.2065
Weighted residual factors for all reflections included in the refinement	0.2606
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1545010.cif
190039	2017-01-08	cif/ Adding structures of 1545010 via cif-deposit CGI script.	1545010.cif