Crystallography Open Database

Information card for entry 1542573

Preview

Coordinates	1542573.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H19 N3 O2
Calculated formula	C26 H19 N3 O2
SMILES	c1ccc(cc1)c1n2c(c3[nH]c4ccccc4c3CC2)c(c2ccccc2)c1N(=O)=O
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	10.0072 ± 0.001 Å
b	23.043 ± 0.002 Å
c	9.4047 ± 0.0009 Å
α	90°
β	110.772 ± 0.002°
γ	90°
Cell volume	2027.7 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1134
Weighted residual factors for all reflections included in the refinement	0.1436
Goodness-of-fit parameter for all reflections included in the refinement	0.923
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
181451 (current)	2016-04-04	cif/ Updating files of 1542573, 1542574, 1542575 Original log message: Adding full bibliography for 1542573--1542575.cif.	1542573.cif
177063	2016-03-01	cif/ Adding structures of 1542573 via cif-deposit CGI script.	1542573.cif