Crystallography Open Database

Information card for entry 4104370

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Structure parameters

Formula	C41 H30 O2
Calculated formula	C41 H30 O2
SMILES	O(C)c1ccc(cc1)c1ccc2c(c1)C1(c3c(C=C2)ccc(c3)c2ccc(OC)cc2)c2ccccc2c2ccccc12
Title of publication	Emission Mechanism of Doublyortho-Linked Quinoxaline/Diphenylfluorene or cis-Stilbene/Fluorene Hybrid Compounds Based on the Transient Absorption and Emission Measurements during Pulse Radiolysis
Authors of publication	Yi Wei; Shingo Samori; Sachiko Tojo; Mamoru Fujitsuka; Jin-Sheng Lin; Chien-Tien Chen; Tetsuro Majima
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	6698 - 6707
a	16.8902 ± 0.0006 Å
b	9.8465 ± 0.0003 Å
c	17.6024 ± 0.0008 Å
α	90°
β	107.789 ± 0.001°
γ	90°
Cell volume	2787.48 ± 0.18 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
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	0.1453
Residual factor for significantly intense reflections	0.0579
Weighted residual factors for significantly intense reflections	0.1317
Weighted residual factors for all reflections included in the refinement	0.1873
Goodness-of-fit parameter for all reflections included in the refinement	0.987
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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