Crystallography Open Database

Information card for entry 1512082

1512081 << 1512082 >> 1512083

Preview

Coordinates	1512082.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H33 Cl N2 O Pd
Calculated formula	C30 H33 Cl N2 O Pd
SMILES	[Pd]12(Cl)(C[CH]1=[CH2]2)=C1N(C(=C(N1c1c(Oc2ccccc2)cccc1)C)C)Cc1c(cc(cc1C)C)C
Title of publication	Ether-imidazolium carbenes for suzuki-miyaura cross-coupling of heteroaryl chlorides with aryl/heteroarylboron reagents.
Authors of publication	Kuriyama, Masami; Matsuo, Seira; Shinozawa, Mina; Onomura, Osamu
Journal of publication	Organic letters
Year of publication	2013
Journal volume	15
Journal issue	11
Pages of publication	2716 - 2719
a	9.363 ± 0.002 Å
b	14.332 ± 0.003 Å
c	19.941 ± 0.004 Å
α	90°
β	98.871 ± 0.004°
γ	90°
Cell volume	2643.9 ± 1 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for all reflections included in the refinement	0.1219
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512082.cif
87213	2013-07-14	cif/ Adding structures of 1512080, 1512081, 1512082, 1512083 via cif-deposit CGI script.	1512082.cif