Crystallography Open Database

Information card for entry 7236841

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Coordinates	7236841.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	TPEtetracylhydrazine macrocycle
Formula	C52 H54 N2 O5
Calculated formula	C52 H54 N2 O5
Title of publication	Tetraphenylethylene tetracylhydrazine macrocycle with capability for discrimination of n-propanol from i-propanol and highly sensitive/selective detection of nitrobenzene
Authors of publication	Xie, Wen-Zhao; Zhang, Hong-Chao; Zheng, Yan-Song
Journal of publication	J. Mater. Chem. C
Year of publication	2017
Journal volume	5
Journal issue	40
Pages of publication	10462
a	38.906 ± 0.01 Å
b	9.493 ± 0.002 Å
c	27.486 ± 0.007 Å
α	90°
β	102.749 ± 0.005°
γ	90°
Cell volume	9901 ± 4 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 K
Number of distinct elements	4
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	0.1386
Residual factor for significantly intense reflections	0.0838
Weighted residual factors for significantly intense reflections	0.2378
Weighted residual factors for all reflections included in the refinement	0.2675
Goodness-of-fit parameter for all reflections included in the refinement	0.985
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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