Crystallography Open Database

Information card for entry 7155374

Preview

Coordinates	7155374.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H25 N3
Calculated formula	C25 H25 N3
SMILES	c12ccccc1nc1c3c4ccccc4n(C)c3c(cc1n2)CCCCCC
Title of publication	Metal catalyst free cyclization of 3-alkynyl substituted 2-(indol-3-yl)quinoxalines in TFA alone: a new synthesis of indolophenazines.
Authors of publication	Kumar, K. Shiva; Bhaskar, Boyapally; Ramulu, Meesa Siddi; Kumar, N. Praveen; Ashfaq, Mohd Ashraf; Pal, Manojit
Journal of publication	Organic & biomolecular chemistry
Year of publication	2016
Journal volume	15
Journal issue	1
Pages of publication	82 - 87
a	8.4926 ± 0.0002 Å
b	7.9538 ± 0.0002 Å
c	28.9887 ± 0.0007 Å
α	90°
β	91.1 ± 0.001°
γ	90°
Cell volume	1957.78 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
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	0.0658
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1054
Weighted residual factors for all reflections included in the refinement	0.1207
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
191752 (current)	2017-02-04	cif/ Updating files of 7155374, 7155375 Original log message: Adding full bibliography for 7155374--7155375.cif.	7155374.cif
188642	2016-11-23	cif/ Adding structures of 7155374, 7155375 via cif-deposit CGI script.	7155374.cif