Crystallography Open Database

Information card for entry 1517551

Preview

Coordinates	1517551.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H23 N O4
Calculated formula	C27 H23 N O4
Title of publication	N-heterocyclic carbene-promoted annulation reaction of allenals with chalcones: synthesis of polysubstituted pyranyl aldehydes.
Authors of publication	Ma, Dengke; Qiu, Youai; Dai, Jianxin; Fu, Chunling; Ma, Shengming
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	18
Pages of publication	4742 - 4745
a	28.281 ± 0.002 Å
b	6.5273 ± 0.0006 Å
c	38.133 ± 0.004 Å
α	90°
β	107.759 ± 0.01°
γ	90°
Cell volume	6703.9 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 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	0.1724
Residual factor for significantly intense reflections	0.0723
Weighted residual factors for significantly intense reflections	0.1629
Weighted residual factors for all reflections included in the refinement	0.2235
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	1517551.cif
124866	2014-10-06	cif/ Updating files of 1517550, 1517551, 1517552 Original log message: Adding full bibliography for 1517550--1517552.cif.	1517551.cif
123323	2014-09-07	cif/ Adding structures of 1517551 via cif-deposit CGI script.	1517551.cif