Crystallography Open Database

Information card for entry 4513794

Preview

Coordinates	4513794.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H91 F12 N O16 P4
Calculated formula	C112 H91 F12 N O16 P4
Title of publication	Hydrogen Bonds-Enabled Design of aC1-Symmetric Chiral Brønsted Acid Catalyst
Authors of publication	Momiyama, Norie; Funayama, Kosuke; Noda, Hirofumi; Yamanaka, Masahiro; Akasaka, Naohiko; Ishida, Shintaro; Iwamoto, Takeaki; Terada, Masahiro
Journal of publication	ACS Catalysis
Year of publication	2016
Journal volume	6
Journal issue	2
Pages of publication	949
a	24.1287 ± 0.0008 Å
b	24.1287 ± 0.0008 Å
c	33.801 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	17042.3 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.0522
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.127
Weighted residual factors for all reflections included in the refinement	0.1322
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
177380 (current)	2016-03-04	cif/ Updating files of 4513793, 4513794 Original log message: Adding full bibliography for 4513793--4513794.cif.	4513794.cif
174338	2016-01-10	cif/ Adding structures of 4513794 via cif-deposit CGI script.	4513794.cif