Crystallography Open Database

Information card for entry 1543048

Preview

Coordinates	1543048.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H24 N4 O3
Calculated formula	C23 H24 N4 O3
SMILES	O1C2=C([C@@]3([C@]([C@@H]1c1ccccc1)(C(N)=NC3=O)C#N)C#N)CCCC2.C1CCCO1.O1C2=C([C@]3([C@@]([C@H]1c1ccccc1)(C(N)=NC3=O)C#N)C#N)CCCC2.C1CCCO1
Title of publication	Diastereoselective Cascade Assembly of Functionalized Pyrano[3,4-c]pyrrole Derivatives.
Authors of publication	Ievlev, Mikhail Yu; Ershov, Oleg V.; Tafeenko, Viktor A.
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	8
Pages of publication	1940 - 1943
a	8.725 ± 0.002 Å
b	21.909 ± 0.009 Å
c	11.242 ± 0.004 Å
α	90°
β	97.7 ± 0.02°
γ	90°
Cell volume	2129.6 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1101
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.1029
Weighted residual factors for all reflections included in the refinement	0.1324
Goodness-of-fit parameter for all reflections included in the refinement	0.978
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
182525 (current)	2016-05-04	cif/ Updating files of 1543048, 1543049, 1543050 Original log message: Adding full bibliography for 1543048--1543050.cif.	1543048.cif
181937	2016-04-07	cif/ Adding structures of 1543048 via cif-deposit CGI script.	1543048.cif