Crystallography Open Database

Information card for entry 1520504

1520503 << 1520504 >> 1520505

Preview

Coordinates	1520504.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 I N O
Calculated formula	C20 H16 I N O
SMILES	Ic1ccc2n(c3c(c2c1c1ccc(OC)cc1)cccc3)C
Title of publication	Facile Synthesis of Carbazoles via a Tandem Iodocyclization with 1,2-Alkyl Migration and Aromatization.
Authors of publication	Wang, Jia; Zhu, Hai-Tao; Qiu, Yi-Feng; Niu, Yuan; Chen, Si; Li, Ying-Xiu; Liu, Xue-Yuan; Liang, Yong-Min
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	12
Pages of publication	3186 - 3189
a	10.699 ± 0.001 Å
b	11.726 ± 0.0011 Å
c	22.2683 ± 0.0012 Å
α	94.284 ± 0.006°
β	101.795 ± 0.006°
γ	109.369 ± 0.008°
Cell volume	2549 ± 0.4 Å³
Cell temperature	291.64 ± 0.1 K
Ambient diffraction temperature	291.64 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1024
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1157
Weighted residual factors for all reflections included in the refinement	0.1481
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
140275 (current)	2015-07-05	cif/ Updating files of 1520504, 1520505 Original log message: Adding full bibliography for 1520504--1520505.cif.	1520504.cif
139056	2015-06-11	cif/ Adding structures of 1520504 via cif-deposit CGI script.	1520504.cif