Crystallography Open Database

Information card for entry 7246946

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Coordinates	7246946.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H22 Cl N3 O3
Calculated formula	C24 H22 Cl N3 O3
SMILES	Clc1cc(c2noc(N)c2[C@@H](c2cccc(c2)C)c2cc([nH]c2)C(=O)OCC)ccc1
Title of publication	Chiral spirocyclic phosphoric acid-catalyzed enantioselective synthesis of heterotriarylmethanes bearing an amino acid moiety.
Authors of publication	Jiaping, Jin; Woldegiorgis, Alemayehu Gashaw; Lin, Xufeng
Journal of publication	RSC advances
Year of publication	2023
Journal volume	13
Journal issue	27
Pages of publication	18964 - 18973
a	11.8078 ± 0.0005 Å
b	6.2764 ± 0.0003 Å
c	15.6415 ± 0.0006 Å
α	90°
β	109.362 ± 0.001°
γ	90°
Cell volume	1093.64 ± 0.08 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0483
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0847
Weighted residual factors for all reflections included in the refinement	0.0898
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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