Crystallography Open Database

Information card for entry 1518296

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Structure parameters

Formula	C24 H38 Cl N3 O4 Si
Calculated formula	C24 H38 Cl N3 O4 Si
SMILES	[Si](OC[C@@H]1N(N([C@@H](C=C1)C)C(=O)Nc1ccc(Cl)cc1)C(=O)OC(C)(C)C)(C)(C)C(C)(C)C
Title of publication	Asymmetric Hetero-Diels-Alder Reaction of Diazenes Catalyzed by Chiral Silver Phosphate: Water Participates in the Catalysis and Stereocontrol.
Authors of publication	Liu, Bin; Liu, Tong-Yu; Luo, Shi-Wei; Gong, Liu-Zhu
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	23
Pages of publication	6164
a	9.2055 ± 0.0004 Å
b	13.5568 ± 0.0005 Å
c	23.141 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2887.93 ± 0.19 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
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	0.134
Residual factor for significantly intense reflections	0.1116
Weighted residual factors for significantly intense reflections	0.232
Weighted residual factors for all reflections included in the refinement	0.2464
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1518296.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518296.cif
131547	2015-02-08	cif/ Updating files of 1518296 Original log message: Adding full bibliography for 1518296.cif.	1518296.cif
127767	2014-11-21	cif/ Adding structures of 1518296 via cif-deposit CGI script.	1518296.cif