Crystallography Open Database

Information card for entry 1557380

Preview

Coordinates	1557380.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H56 B2 F8 N2 O8
Calculated formula	C60 H56 B2 F7.852 N2 O8
Title of publication	N-Heterocyclic carbene-catalyzed deaminative cross-coupling of aldehydes with Katritzky pyridinium salts
Authors of publication	Kim, Inwon; Im, Honggu; Lee, Hyeonyeong; Hong, Sungwoo
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	12
Pages of publication	3192 - 3197
a	12.5252 ± 0.0009 Å
b	16.8071 ± 0.0012 Å
c	12.9207 ± 0.0011 Å
α	90°
β	90.786 ± 0.002°
γ	90°
Cell volume	2719.7 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.1604
Residual factor for significantly intense reflections	0.0998
Weighted residual factors for significantly intense reflections	0.244
Weighted residual factors for all reflections included in the refinement	0.2992
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
257416 (current)	2020-10-06	cif/ Updating files of 1557380, 1557381, 1557382, 1557383 Original log message: Adding full bibliography for 1557380--1557383.cif.	1557380.cif
250260	2020-04-05	cif/ Updating files of 1557380, 1557381, 1557382, 1557383 Original log message: Adding full bibliography for 1557380--1557383.cif.	1557380.cif
248474	2020-02-27	cif/ Adding structures of 1557380, 1557381, 1557382, 1557383 via cif-deposit CGI script.	1557380.cif