Crystallography Open Database

Information card for entry 7219861

7219860 << 7219861 >> 7219862

Preview

Coordinates	7219861.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 N3 O
Calculated formula	C19 H17 N3 O
SMILES	c12ccccc1c1c(C3NC(=O)c4ccccc4N3CC1)n2C
Title of publication	A short and highly convergent approach for the synthesis of rutaecarpine derivatives
Authors of publication	Basireddy, Venkata Subba Reddy; Ramisetti, Anjibabu; Reddy, Jagan Mohan; Balasubramanian, Sridhar; Ramalingamurthy, T.; Pranathi, Patlollu; kalivendi, shasi v; Prabhakar Rao, Tadikamalla
Journal of publication	RSC Adv.
Year of publication	2015
a	13.2058 ± 0.001 Å
b	5.263 ± 0.0004 Å
c	22.7073 ± 0.0017 Å
α	90°
β	100.007 ± 0.01°
γ	90°
Cell volume	1554.2 ± 0.2 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.053
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1193
Weighted residual factors for all reflections included in the refinement	0.1247
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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
180529 (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 7/21/98.	7219861.cif
133891	2015-03-13	cif/ Adding structures of 7219861 via cif-deposit CGI script.	7219861.cif