Crystallography Open Database

Information card for entry 7219594

7219593 << 7219594 >> 7219595

Preview

Coordinates	7219594.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H26 I N3
Calculated formula	C26 H26 I N3
Title of publication	Catalytic asymmetric hydrogenation using [2.2]paracyclophane based chiral 1,2,3-triazol-5-ylidene-Pd complex under ambient conditions and 1 atmosphere of H2
Authors of publication	Sankararaman, Sethuraman; V, Ramkumar; Dasgupta, Ayan
Journal of publication	RSC Adv.
Year of publication	2015
a	26.3226 ± 0.0017 Å
b	7.3433 ± 0.0004 Å
c	11.8767 ± 0.0006 Å
α	90°
β	99.34 ± 0.002°
γ	90°
Cell volume	2265.3 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0694
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.0759
Weighted residual factors for all reflections included in the refinement	0.0872
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180526 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/95.	7219594.cif
131975	2015-02-18	cif/ Adding structures of 7219593, 7219594, 7219595 via cif-deposit CGI script.	7219594.cif