Crystallography Open Database

Information card for entry 4129651

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Structure parameters

Formula	C24 H30 N2 O3 S Si2
Calculated formula	C24 H30 N2 O3 S Si2
SMILES	c1(cccc2cccnc12)S(=O)(=O)N1C[C@H]2C[C@](C1)(c1ccccc1)[Si](O[Si]2(C)C)(C)C.c1(cccc2cccnc12)S(=O)(=O)N1C[C@@H]2C[C@@](C1)(c1ccccc1)[Si](O[Si]2(C)C)(C)C
Title of publication	Selective Silylative Reduction of Pyridines Leading to Structurally Diverse Azacyclic Compounds with the Formation of sp³ C-Si Bonds.
Authors of publication	Gandhamsetty, Narasimhulu; Park, Sehoon; Chang, Sukbok
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	48
Pages of publication	15176 - 15184
a	9.9346 ± 0.0013 Å
b	11.8387 ± 0.0016 Å
c	11.9667 ± 0.0016 Å
α	65.486 ± 0.002°
β	88.359 ± 0.003°
γ	75.099 ± 0.003°
Cell volume	1232.6 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.136
Residual factor for significantly intense reflections	0.0698
Weighted residual factors for significantly intense reflections	0.1302
Weighted residual factors for all reflections included in the refinement	0.2015
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301834 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure.	4129651.cif
240330	2019-11-25	cif/ Adding structures of 4129651 via cif-deposit CGI script.	4129651.cif