Crystallography Open Database

Information card for entry 1520222

1520221 << 1520222 >> 1520223

Preview

Coordinates	1520222.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H19 N
Calculated formula	C23 H19 N
SMILES	n1(cc(c(c1C)c1ccccc1)c1ccccc1)c1ccccc1
Title of publication	Synthesis of Multiple-Substituted Pyrroles via Gold(I)-Catalyzed Hydroamination/Cyclization Cascade.
Authors of publication	Li, Xiangdong; Chen, Ming; Xie, Xin; Sun, Ning; Li, Shi; Liu, Yuanhong
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	12
Pages of publication	2984 - 2987
a	29.558 ± 0.003 Å
b	6.041 ± 0.0006 Å
c	19.696 ± 0.002 Å
α	90°
β	104.661 ± 0.002°
γ	90°
Cell volume	3402.4 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0597
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1165
Weighted residual factors for all reflections included in the refinement	0.1247
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
140265 (current)	2015-07-05	cif/ Updating files of 1520220, 1520221, 1520222 Original log message: Adding full bibliography for 1520220--1520222.cif.	1520222.cif
137803	2015-06-04	cif/ Adding structures of 1520222 via cif-deposit CGI script.	1520222.cif