Crystallography Open Database

Information card for entry 8000011

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Structure parameters

Formula	C24 H27 N5
Calculated formula	C24 H27 N5
SMILES	CN(C)c1ccc(cc1)/C=C/c1nc(C)nc(/C=C/c2ccc(cc2)N(C)C)n1
Title of publication	Cooperative Enhancement of Two-photon Absorption of Multibranched Compounds with Vinylenes Attaching to the s-Triazine Core
Authors of publication	Yue-Zhi Cui; Qi Fang; Gang Xue; Gui-Bao Xu; Lei Yin; Wen-Tao Yu
Journal of publication	Chemistry Letters
Year of publication	2005
Journal volume	34
Journal issue	5
Pages of publication	644
a	6.528 ± 0.005 Å
b	7.994 ± 0.005 Å
c	20.615 ± 0.005 Å
α	90 ± 0.005°
β	92.192 ± 0.005°
γ	90 ± 0.005°
Cell volume	1075 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.2439
Residual factor for significantly intense reflections	0.0636
Weighted residual factors for significantly intense reflections	0.105
Weighted residual factors for all reflections included in the refinement	0.1594
Goodness-of-fit parameter for all reflections included in the refinement	0.872
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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