Crystallography Open Database

Information card for entry 1515422

Preview

Coordinates	1515422.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H26 N2 O2
Calculated formula	C23 H26 N2 O2
SMILES	[nH]1c2c(c3ccccc13)C(CN1C2c2c(CC1)cc(OC)c(OC)c2)(C)C
Title of publication	Azomethine ylide annulations: facile access to polycyclic ring systems
Authors of publication	Zhang, Chen; Das, Deepankar; Seidel, Daniel
Journal of publication	Chemical Science
Year of publication	2011
Journal volume	2
Journal issue	2
Pages of publication	233
a	8.9485 ± 0.0005 Å
b	12.2725 ± 0.0007 Å
c	17.1292 ± 0.001 Å
α	90°
β	93.113 ± 0.001°
γ	90°
Cell volume	1878.36 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0505
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1115
Weighted residual factors for all reflections included in the refinement	0.1152
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515422.cif
111807	2014-04-28	cif/ Adding structures of 1515421, 1515422 via cif-deposit CGI script.	1515422.cif