Crystallography Open Database

Information card for entry 4123247

Preview

Coordinates	4123247.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 N4
Calculated formula	C21 H20 N4
SMILES	N1c2ccccc2[C@@H]2N([C@H]1c1c(N2)cccc1)Cc1c(N)cccc1.N1c2ccccc2[C@H]2N([C@@H]1c1c(N2)cccc1)Cc1c(N)cccc1
Title of publication	Tandem catalysis of amines using porous graphene oxide.
Authors of publication	Su, Chenliang; Tandiana, Rika; Balapanuru, Janardhan; Tang, Wei; Pareek, Kapil; Nai, Chang Tai; Hayashi, Tamio; Loh, Kian Ping
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	2
Pages of publication	685 - 690
a	6.94 ± 0.0005 Å
b	32.943 ± 0.002 Å
c	7.1977 ± 0.0006 Å
α	90°
β	92.225 ± 0.002°
γ	90°
Cell volume	1644.3 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0295
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0747
Weighted residual factors for all reflections included in the refinement	0.0752
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
179034 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/32.	4123247.cif
130648	2015-02-04	cif/ Updating files of 4123247, 4123248 Original log message: Adding full bibliography for 4123247--4123248.cif.	4123247.cif
129826	2015-01-17	cif/ Adding structures of 4123247 via cif-deposit CGI script.	4123247.cif