Crystallography Open Database

Information card for entry 4021957

4021956 << 4021957 >> 4021958

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Structure parameters

Formula	C30 H24 N P
Calculated formula	C30 N P
SMILES	P(c1ccccc1)(c1ccccc1)c1ccc2c(c1N1c3ccccc3CC1)cccc2
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	9.129 ± 0.004 Å
b	11.674 ± 0.004 Å
c	11.962 ± 0.004 Å
α	68.03 ± 0.03°
β	86.95 ± 0.03°
γ	87.76 ± 0.03°
Cell volume	1180.3 ± 0.7 Å³
Cell temperature	298 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.099
Residual factor for significantly intense reflections	0.057
Weighted residual factors for all reflections	0.135
Weighted residual factors for significantly intense reflections	0.128
Weighted residual factors for all reflections included in the refinement	0.128
Goodness-of-fit parameter for all reflections	1.398
Goodness-of-fit parameter for significantly intense reflections	0.958
Goodness-of-fit parameter for all reflections included in the refinement	0.958
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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