Crystallography Open Database

Information card for entry 7056652

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Structure parameters

Formula	C124 H168
Calculated formula	C124 H168
Title of publication	Synthesis and Ring Opening Reaction of Octaoctyl Substituted [2.2.2.2](2,7)-Fluorenophanetetraene by Photooxidation
Authors of publication	Yu, Chin-Yang; Chen, Yu-Chi; Wang, Chao-Chi
Journal of publication	New J. Chem.
Year of publication	2017
a	26.301 ± 0.002 Å
b	18.6381 ± 0.0015 Å
c	22.7995 ± 0.0016 Å
α	90°
β	107.972 ± 0.005°
γ	90°
Cell volume	10631 ± 1.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	2
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.318
Residual factor for significantly intense reflections	0.0975
Weighted residual factors for significantly intense reflections	0.2346
Weighted residual factors for all reflections included in the refinement	0.3416
Goodness-of-fit parameter for all reflections included in the refinement	0.902
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
301851 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure.	7056652.cif
201583	2017-10-03	cif/ Adding structures of 7056652 via cif-deposit CGI script.	7056652.cif