Crystallography Open Database

Information card for entry 1543272

Preview

Coordinates	1543272.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H15 N
Calculated formula	C23 H15 N
SMILES	n1c(c2ccc3c(cccc3)c2c2ccccc12)c1ccccc1
Title of publication	Pd/Fe3O4supported on nitrogen-doped reduced graphene oxide for room-temperature isocyanide insertion reactions
Authors of publication	Singh, Karandeep; Singh, Ajay K.; Singh, Devendra; Singh, Rakhi; Sharma, Siddharth
Journal of publication	Catal. Sci. Technol.
Year of publication	2016
Journal volume	6
Journal issue	11
Pages of publication	3723
a	19.533 ± 0.004 Å
b	7.5052 ± 0.0015 Å
c	21.247 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3114.8 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1231
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1398
Weighted residual factors for all reflections included in the refinement	0.1671
Goodness-of-fit parameter for all reflections included in the refinement	0.934
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
185091 (current)	2016-08-07	cif/ Updating files of 1543272 Original log message: Adding full bibliography for 1543272.cif.	1543272.cif
182843	2016-05-10	cif/ Adding structures of 1543272 via cif-deposit CGI script.	1543272.cif