Crystallography Open Database

Information card for entry 7219560

7219559 << 7219560 >> 7219561

Preview

Coordinates	7219560.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1-Methyl-5'H-spiro[indoline-3,4'-pyrrolo[1,2-a]quinoxalin]-2-one
Formula	C19 H15 N3 O
Calculated formula	C19 H15 N3 O
SMILES	n12c3c(NC4(c5c(N(C4=O)C)cccc5)c1ccc2)cccc3
Title of publication	An eco-friendly Pictet-Spengler approach to pyrrolo- and indolo[1,2-a]quinoxalines using p-dodecylbenzenesulfonic acid as an efficient Brønsted acid catalyst
Authors of publication	Nath, Mahendra; Preetam, Amreeta
Journal of publication	RSC Adv.
Year of publication	2015
a	8.1561 ± 0.0004 Å
b	10.424 ± 0.0004 Å
c	17.6525 ± 0.001 Å
α	90°
β	97.994 ± 0.005°
γ	90°
Cell volume	1486.22 ± 0.13 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	0.0575
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1354
Weighted residual factors for all reflections included in the refinement	0.1394
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
180526 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/95.	7219560.cif
131869	2015-02-14	cif/ Adding structures of 7219560 via cif-deposit CGI script.	7219560.cif