Crystallography Open Database

Information card for entry 4115062

Preview

Coordinates	4115062.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H28 F4 N4
Calculated formula	C36 H28 F4 N4
Title of publication	An Alternative Synthetic Route of [35](1,2,3,4,5)Cyclophane, and Structural Properties of Multibridged [3n]Cyclophanes and Their Charge-Transfer Complexes in the Solid State1
Authors of publication	Mikio Yasutake; Toru Koga; Youichi Sakamoto; Shingo Komatsu; Ming Zhou; Katsuya Sako; Hitoshi Tatemitsu; Satoru Onaka; Yoshio Aso; Shinobu Inoue; Teruo Shinmyozu
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	10136 - 10145
a	17.4292 ± 0.0005 Å
b	30.4333 ± 0.0008 Å
c	10.3567 ± 0.0003 Å
α	90°
β	90.1211 ± 0.0009°
γ	90°
Cell volume	5493.5 ± 0.3 Å³
Cell temperature	93.2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for all reflections included in the refinement	0.1134
Goodness-of-fit parameter for all reflections included in the refinement	0.702
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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