Crystallography Open Database

Information card for entry 7219980

7219979 << 7219980 >> 7219981

Preview

Coordinates	7219980.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H19 N O2
Calculated formula	C22 H19 N O2
SMILES	c1(cn(c2c1cccc2)C)[C@H]1C2=C(Oc3c1cccc3)CCCC2=O
Title of publication	Oleic acid: a benign Brønsted acidic catalyst for densely substituted indole derivative synthesis
Authors of publication	Ganesan, Asaithampi; Kothandapani, Jagatheeswaran; Nanubolu, Jagadeesh Babu; Ganesan, Subramaniapillai Selva
Journal of publication	RSC Adv.
Year of publication	2015
Journal volume	5
Journal issue	36
Pages of publication	28597
a	8.4025 ± 0.0006 Å
b	8.9518 ± 0.0006 Å
c	22.4061 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	1685.3 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0398
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.1121
Weighted residual factors for all reflections included in the refinement	0.1139
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
180530 (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 7/21/99.	7219980.cif
134335	2015-03-24	cif/ Adding structures of 7219980 via cif-deposit CGI script.	7219980.cif