Crystallography Open Database

Information card for entry 1556148

Preview

Coordinates	1556148.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H28 B Fe O P
Calculated formula	C29 H28 B Fe O P
SMILES	c1(ccccc1)[C@@H](c1ccccc1[P@@](c1ccccc1)([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)[BH3])O
Title of publication	o-(Hydroxyalkyl)phenyl P-chirogenic phosphines as functional chiral Lewis bases.
Authors of publication	Rémond, Emmanuelle; Bayardon, Jérôme; Takizawa, Shinobu; Rousselin, Yoann; Sasai, Hiroaki; Jugé, Sylvain
Journal of publication	Organic letters
Year of publication	2013
Journal volume	15
Journal issue	8
Pages of publication	1870 - 1873
a	9.01 ± 0.0003 Å
b	14.7132 ± 0.0005 Å
c	17.6287 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2336.97 ± 0.14 Å³
Cell temperature	115 ± 2 K
Ambient diffraction temperature	115 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0354
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0694
Weighted residual factors for all reflections included in the refinement	0.071
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα~1~
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
243504 (current)	2019-11-26	cif/ Adding structures of 1556147, 1556148, 1556149, 1556150 via cif-deposit CGI script.	1556148.cif