Crystallography Open Database

Information card for entry 1520703

1520702 << 1520703 >> 1520704

Preview

Coordinates	1520703.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C163 H221 N28 O13 Ti4
Calculated formula	C163 H221 N28 O13 Ti4
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	19.976 ± 0.004 Å
b	20.518 ± 0.004 Å
c	21.236 ± 0.004 Å
α	89.583 ± 0.005°
β	78.919 ± 0.005°
γ	76.303 ± 0.005°
Cell volume	8292 ± 3 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1963
Residual factor for significantly intense reflections	0.1169
Weighted residual factors for significantly intense reflections	0.3106
Weighted residual factors for all reflections included in the refinement	0.3742
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
152914 (current)	2015-08-05	cif/ Updating files of 1520702, 1520703 Original log message: Adding full bibliography for 1520702--1520703.cif.	1520703.cif
139821	2015-07-01	cif/ Adding structures of 1520703 via cif-deposit CGI script.	1520703.cif