Crystallography Open Database

Information card for entry 1542574

Preview

Coordinates	1542574.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 Cl3 N3 O3
Calculated formula	C28 H22 Cl3 N3 O3
SMILES	ClC(Cl)Cl.O=N(=O)c1c(n2c(c1c1ccc(OC)cc1)c1[nH]c3c(c1CC2)cccc3)c1ccccc1
Title of publication	Acid-Catalyzed Multicomponent Tandem Cyclizations: Access to Polyfunctional Dihydroindolizino[8,7-b]indoles.
Authors of publication	Cai, Qun; Li, Deng-Kui; Zhou, Rong-Rong; Shu, Wen-Ming; Wu, Yan-Dong; Wu, An-Xin
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	6
Pages of publication	1342 - 1345
a	12.2576 ± 0.0016 Å
b	19.07 ± 0.002 Å
c	11.4688 ± 0.0015 Å
α	90°
β	97.837 ± 0.002°
γ	90°
Cell volume	2655.8 ± 0.6 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
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	0.0879
Residual factor for significantly intense reflections	0.0722
Weighted residual factors for significantly intense reflections	0.202
Weighted residual factors for all reflections included in the refinement	0.2199
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
181451 (current)	2016-04-04	cif/ Updating files of 1542573, 1542574, 1542575 Original log message: Adding full bibliography for 1542573--1542575.cif.	1542574.cif
177064	2016-03-01	cif/ Adding structures of 1542574 via cif-deposit CGI script.	1542574.cif