Crystallography Open Database

Information card for entry 7236004

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Coordinates	7236004.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H23 N O2
Calculated formula	C27 H23 N O2
Title of publication	Synthesis and aggregation-induced emission properties of pyridine and pyridinium analogues of tetraphenylethylene
Authors of publication	Gabr, Moustafa T.; Pigge, F. Christopher
Journal of publication	RSC Advances
Year of publication	2015
Journal volume	5
Journal issue	110
Pages of publication	90226
a	9.6471 ± 0.001 Å
b	10.6608 ± 0.0011 Å
c	10.4107 ± 0.001 Å
α	90°
β	93.64 ± 0.005°
γ	90°
Cell volume	1068.54 ± 0.19 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0525
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1067
Weighted residual factors for all reflections included in the refinement	0.1134
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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