Crystallography Open Database

Information card for entry 4038678

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Coordinates	4038678.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H48 N2
Calculated formula	C44 H48 N2
Title of publication	Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines
Authors of publication	Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin
Journal of publication	The Journal of Organic Chemistry
Year of publication	2020
a	9.4593 ± 0.0004 Å
b	11.8372 ± 0.0004 Å
c	30.9935 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	3470.4 ± 0.3 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	3
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	0.1229
Residual factor for significantly intense reflections	0.0932
Weighted residual factors for significantly intense reflections	0.2508
Weighted residual factors for all reflections included in the refinement	0.2778
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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