Crystallography Open Database

Information card for entry 4038680

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Coordinates	4038680.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H48 N2
Calculated formula	C40 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	9.9973 ± 0.0001 Å
b	11.6194 ± 0.0001 Å
c	13.9974 ± 0.0002 Å
α	90°
β	98.549 ± 0.001°
γ	90°
Cell volume	1607.91 ± 0.03 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0426
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.1073
Weighted residual factors for all reflections included in the refinement	0.1116
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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