Crystallography Open Database

Information card for entry 4021377

Preview

Coordinates	4021377.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78.5 H70 Cl5 N6 O2
Calculated formula	C78.5 H70 Cl5 N6 O2
Title of publication	Synthesis, Structures, and Photoinduced Electron Transfer Reaction in the 9,9'-Spirobifluorene-Bridged Bipolar Systems
Authors of publication	Ken-Tsung Wong; Sung-Yu Ku; Yi-Ming Cheng; Xiauo-Yun Lin; Ying-Yueh Hung; Shih-Chieh Pu; Pi-Tai Chou; Gene-Hsiang Lee; Shie-Ming Peng
Journal of publication	Journal of Organic Chemistry
Year of publication	2006
Journal volume	71
Pages of publication	456 - 465
a	13.7668 ± 0.0001 Å
b	27.0773 ± 0.0003 Å
c	20.0217 ± 0.0002 Å
α	90°
β	105.051 ± 0.001°
γ	90°
Cell volume	7207.41 ± 0.12 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1169
Residual factor for significantly intense reflections	0.0943
Weighted residual factors for significantly intense reflections	0.2759
Weighted residual factors for all reflections included in the refinement	0.3001
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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