Crystallography Open Database

Information card for entry 8000010

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Structure parameters

Formula	C15 H18 N4
Calculated formula	C15 H18 N4
SMILES	Cc1nc(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	7.834 ± 0.005 Å
b	7.852 ± 0.005 Å
c	13.105 ± 0.005 Å
α	81.09 ± 0.005°
β	88.966 ± 0.005°
γ	62.259 ± 0.005°
Cell volume	703.5 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2125
Residual factor for significantly intense reflections	0.0775
Weighted residual factors for significantly intense reflections	0.1951
Weighted residual factors for all reflections included in the refinement	0.2641
Goodness-of-fit parameter for all reflections included in the refinement	0.932
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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