Crystallography Open Database

Information card for entry 7106499

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Coordinates	7106499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H27 N O2
Calculated formula	C38 H27 N O2
SMILES	O=C(c1n(c2c(c(c(c3ccccc3)c3c2cccc3)c2ccccc2)c1)c1ccc(OC)cc1)c1ccccc1
Title of publication	A straightforward one-pot multicomponent synthesis of polysubstituted pyrroles
Authors of publication	Xufeng Lin; Zhenjun Mao; Xixiang Dai; Ping Lu; Yanguang Wang
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	6620
a	12.5289 ± 0.0004 Å
b	46.5485 ± 0.0011 Å
c	10.4955 ± 0.0005 Å
α	90°
β	113.316 ± 0.005°
γ	90°
Cell volume	5621.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0835
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1201
Weighted residual factors for all reflections included in the refinement	0.1394
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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