Crystallography Open Database

Information card for entry 4119417

4119416 << 4119417 >> 4119418

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Coordinates	4119417.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C234 H449 N O72 Si14
Calculated formula	C234 H445 N O72 Si14
Title of publication	Chiral Recognition and Kinetic Resolution of Aromatic Amines via Supramolecular Chiral Nanocapsules in Nonpolar Solvents
Authors of publication	Toshiyuki Kida; Takuya Iwamoto; Haruyasu Asahara; Tomoaki Hinoue; Mitsuru Akashi
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	3371 - 3374
a	22.1316 ± 0.0004 Å
b	30.883 ± 0.0006 Å
c	45.3137 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	30971.5 ± 1 Å³
Cell temperature	153 K
Ambient diffraction temperature	153 K
Number of distinct elements	5
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for significantly intense reflections	0.0991
Weighted residual factors for all reflections included in the refinement	0.3106
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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