Crystallography Open Database

Information card for entry 1542625

Preview

Coordinates	1542625.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H16 N2 O
Calculated formula	C23 H16 N2 O
SMILES	O=C1N(c2cccc3nc(c4ccccc4)cc1c23)Cc1ccccc1
Title of publication	Annulation Reaction of 3-Acylmethylidene Oxindoles with Huisgen Zwitterions and Its Applications in the Syntheses of Pyrrolo[4,3,2-de]quinolinones and Marine Alkaloids Ammosamides.
Authors of publication	Yang, Changjiang; Chen, Xiangyu; Tang, Tong; He, Zhengjie
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	6
Pages of publication	1486 - 1489
a	5.5058 ± 0.0011 Å
b	26.046 ± 0.007 Å
c	11.867 ± 0.002 Å
α	90°
β	97.83 ± 0.03°
γ	90°
Cell volume	1685.9 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0539
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0688
Weighted residual factors for all reflections included in the refinement	0.0742
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
181452 (current)	2016-04-04	cif/ Updating files of 1542621, 1542622, 1542623, 1542624, 1542625, 1542626 Original log message: Adding full bibliography for 1542621--1542626.cif.	1542625.cif
177210	2016-03-04	cif/ Adding structures of 1542625 via cif-deposit CGI script.	1542625.cif