Crystallography Open Database

Information card for entry 1520702

1520701 << 1520702 >> 1520703

Preview

Coordinates	1520702.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H60 N8 O3 Ti2
Calculated formula	C41 H60 N8 O3 Ti2
Title of publication	Directed Amination of Aryl Methyl Ethers Mediated by Ti(NMe2)4 at Room Temperature.
Authors of publication	Chen, Zhou; Liu, Jinna; Pei, Hao; Liu, Wei; Chen, Yanmei; Wu, Jian; Li, Wu; Li, Yahong
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	14
Pages of publication	3406 - 3409
a	19.8643 ± 0.0006 Å
b	9.0349 ± 0.0002 Å
c	24.8875 ± 0.0007 Å
α	90°
β	106.793 ± 0.002°
γ	90°
Cell volume	4276.1 ± 0.2 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	0.1046
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1262
Weighted residual factors for all reflections included in the refinement	0.1492
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
176428 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary.	1520702.cif
152914	2015-08-05	cif/ Updating files of 1520702, 1520703 Original log message: Adding full bibliography for 1520702--1520703.cif.	1520702.cif
139820	2015-07-01	cif/ Adding structures of 1520702 via cif-deposit CGI script.	1520702.cif