Crystallography Open Database

Information card for entry 7151071

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Structure parameters

Formula	C30 H27 N
Calculated formula	C30 H27 N
SMILES	c1(cc(c2c(C(=C\c3ccc(cc3)C)\CCC2)n1)c1ccc(cc1)C)c1ccccc1
Title of publication	Microwave-assisted four-component, one-pot condensation reaction: an efficient synthesis of annulated pyridines.
Authors of publication	Yan, Chao-Guo; Cai, Xi-Mei; Wang, Qi-Fang; Wang, Ting-Yu; Zheng, Ming
Journal of publication	Organic & biomolecular chemistry
Year of publication	2007
Journal volume	5
Journal issue	6
Pages of publication	945 - 951
a	10.024 ± 0.0017 Å
b	10.7729 ± 0.0018 Å
c	11.1615 ± 0.0019 Å
α	81.47 ± 0.002°
β	89.328 ± 0.002°
γ	69.72 ± 0.002°
Cell volume	1117.1 ± 0.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.0761
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1207
Weighted residual factors for all reflections included in the refinement	0.1358
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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