Crystallography Open Database

Information card for entry 4021375

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Coordinates	4021375.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H54 Cl3 N5 O3
Calculated formula	C63 H54 Cl3 N5 O3
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	25.7376 ± 0.0004 Å
b	11.1794 ± 0.0002 Å
c	37.1441 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	10687.5 ± 0.3 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1212
Residual factor for significantly intense reflections	0.0846
Weighted residual factors for significantly intense reflections	0.2534
Weighted residual factors for all reflections included in the refinement	0.2739
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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