Crystallography Open Database

Information card for entry 1520726

1520725 << 1520726 >> 1520727

Preview

Coordinates	1520726.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H42 F6 N6 O7 S2
Calculated formula	C44 H42 F6 N6 O7 S2
Title of publication	Brine-Stabilized 2,2,2-Trifluorodiazoethane and Its Application in the Synthesis of CF3-Substituted Cyclopropane α-Amino Acids.
Authors of publication	Zhu, Chuan-Le; Yang, Li-Jun; Li, Shen; Zheng, Yan; Ma, Jun-An
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	14
Pages of publication	3442 - 3445
a	21.512 ± 0.01 Å
b	10.424 ± 0.005 Å
c	40.881 ± 0.018 Å
α	90°
β	90°
γ	90°
Cell volume	9167 ± 7 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
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	0.243
Residual factor for significantly intense reflections	0.1095
Weighted residual factors for significantly intense reflections	0.231
Weighted residual factors for all reflections included in the refinement	0.2997
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1520726.cif
152915	2015-08-05	cif/ Updating files of 1520726, 1520727 Original log message: Adding full bibliography for 1520726--1520727.cif.	1520726.cif
139891	2015-07-02	cif/ Adding structures of 1520726 via cif-deposit CGI script.	1520726.cif