Crystallography Open Database

Information card for entry 4021959

4021958 << 4021959 >> 4021960

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Structure parameters

Formula	C27 H21 F N P
Calculated formula	C27 F3 N P
SMILES	P(c1cccc(c1N1c2c(cccc2)CC1)C(F)(F)F)(c1ccccc1)c1ccccc1
Title of publication	Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis
Authors of publication	Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita
Journal of publication	Journal of Organic Chemistry
Year of publication	2006
Journal volume	71
Pages of publication	7346 - 7353
a	9.55 ± 0.002 Å
b	10.913 ± 0.006 Å
c	11.511 ± 0.005 Å
α	108.01 ± 0.04°
β	92.35 ± 0.03°
γ	96.46 ± 0.03°
Cell volume	1130.1 ± 0.8 Å³
Cell temperature	298 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.059
Residual factor for significantly intense reflections	0.053
Weighted residual factors for all reflections	0.159
Weighted residual factors for significantly intense reflections	0.158
Weighted residual factors for all reflections included in the refinement	0.158
Goodness-of-fit parameter for all reflections	0.794
Goodness-of-fit parameter for significantly intense reflections	0.636
Goodness-of-fit parameter for all reflections included in the refinement	0.636
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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