Crystallography Open Database

Information card for entry 4029311

Preview

Coordinates	4029311.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 Cl2 N2 O2
Calculated formula	C22 H18 Cl2 N2 O2
Title of publication	Synthesis of 3-Amino-3-hydroxymethyloxindoles and 3-Hydroxy-3-hydroxymethyloxindoles by Rh2(OAc)4-Catalyzed Three-Component Reactions of 3-Diazooxindoles with Formaldehyde and Anilines or Water.
Authors of publication	Wang, Chengjin; Xing, Dong; Wang, Dongwei; Wu, Xiang; Hu, Wenhao
Journal of publication	The Journal of organic chemistry
Year of publication	2014
Journal volume	79
Journal issue	9
Pages of publication	3908 - 3916
a	14.8608 ± 0.0005 Å
b	7.7619 ± 0.0003 Å
c	17.4366 ± 0.0006 Å
α	90°
β	106.782 ± 0.001°
γ	90°
Cell volume	1925.62 ± 0.12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0622
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1269
Weighted residual factors for all reflections included in the refinement	0.1416
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178472 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/93.	4029311.cif
112769	2014-05-04	cif/ Updating files of 4029311 Original log message: Adding full bibliography for 4029311.cif.	4029311.cif
109602	2014-04-17	cif/ Adding structures of 4029311 via cif-deposit CGI script.	4029311.cif