Crystallography Open Database

Information card for entry 4023654

Preview

Coordinates	4023654.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H65 F12 N5 O10 P2
Calculated formula	C54 H65 F12 N5 O10 P2
Title of publication	Guest-Dependent Complexation of Triptycene-Based Macrotricyclic Host with Paraquat Derivatives and Secondary Ammonium Salts: A Chemically Controlled Complexation Process
Authors of publication	Jian-Min Zhao; Qian-Shou Zong; Tao Han; Jun-Feng Xiang; Chuan-Feng Chen
Journal of publication	Journal of Organic Chemistry
Year of publication	2008
Journal volume	73
Pages of publication	6800 - 6806
a	14.62 ± 0.03 Å
b	15.32 ± 0.03 Å
c	16.28 ± 0.03 Å
α	84.07 ± 0.04°
β	88.28 ± 0.04°
γ	64.43 ± 0.03°
Cell volume	3272 ± 12 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2039
Residual factor for significantly intense reflections	0.1047
Weighted residual factors for significantly intense reflections	0.3039
Weighted residual factors for all reflections included in the refinement	0.3844
Goodness-of-fit parameter for all reflections included in the refinement	1.125
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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