Crystallography Open Database

Information card for entry 1505880

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Structure parameters

Formula	C23 H29 N O5 Si
Calculated formula	C23 H29 N O5 Si
SMILES	[Si](O[C@]1(OC)[C@@H](N([C@@H]1CC(=O)OC)C(=O)c1ccccc1)c1ccccc1)(C)(C)C.[Si](O[C@@]1(OC)[C@H](N([C@H]1CC(=O)OC)C(=O)c1ccccc1)c1ccccc1)(C)(C)C
Title of publication	Electroreductive intramolecular coupling of aromatic imino esters: is four-membered cyclization much more favorable than six-membered cyclization?
Authors of publication	Kise, Naoki; Hirano, Yuuki; Tanaka, Yoshi
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	7
Pages of publication	1323 - 1325
a	8.94 ± 0.002 Å
b	12.302 ± 0.004 Å
c	21.509 ± 0.004 Å
α	90°
β	94.2 ± 0.01°
γ	90°
Cell volume	2359.2 ± 1 Å³
Cell temperature	223.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.039
Weighted residual factors for all reflections included in the refinement	0.081
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301775 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure.	1505880.cif
176435	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1505880.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505880.cif
47817	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505880 via cif-deposit CGI script.	1505880.cif