Crystallography Open Database

Information card for entry 4021374

Preview

Coordinates	4021374.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H37 N3 O
Calculated formula	C49 H37 N3 O
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	8.7605 ± 0.0006 Å
b	20.4423 ± 0.0013 Å
c	21.1253 ± 0.0014 Å
α	90°
β	91.634 ± 0.002°
γ	90°
Cell volume	3781.7 ± 0.4 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1867
Residual factor for significantly intense reflections	0.1262
Weighted residual factors for significantly intense reflections	0.3143
Weighted residual factors for all reflections included in the refinement	0.3473
Goodness-of-fit parameter for all reflections included in the refinement	1.183
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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