Crystallography Open Database

Information card for entry 4033947

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Coordinates	4033947.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C208 H216
Calculated formula	C194.352 H185.292
Title of publication	Synthesis, Structures, and Assembly of Geodesic Phenine Frameworks with Isoreticular Networks of [ n]Cyclo- para-phenylenes.
Authors of publication	Sun, Zhe; Mio, Tatsuru; Ikemoto, Koki; Sato, Sota; Isobe, Hiroyuki
Journal of publication	The Journal of organic chemistry
Year of publication	2019
Journal volume	84
Journal issue	6
Pages of publication	3500 - 3507
a	30.56 ± 0.006 Å
b	35.21 ± 0.007 Å
c	22.18 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	23866 ± 8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	2
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.0982
Residual factor for significantly intense reflections	0.0893
Weighted residual factors for significantly intense reflections	0.2758
Weighted residual factors for all reflections included in the refinement	0.287
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.9 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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