Crystallography Open Database

Information card for entry 4115054

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Coordinates	4115054.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H50 N2
Calculated formula	C48 H49.85 N2
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	29.5522 ± 0.0006 Å
b	9.1868 ± 0.0002 Å
c	26.3966 ± 0.0006 Å
α	90°
β	91.3215 ± 0.0004°
γ	90°
Cell volume	7164.5 ± 0.3 Å³
Cell temperature	93.2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for all reflections included in the refinement	0.1712
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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