Crystallography Open Database

Information card for entry 7055532

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Structure parameters

Formula	C17 H25 N O5 S Si
Calculated formula	C17 H25 N O5 S Si
Title of publication	Thioester-appended organosilatranes: synthetic investigations and application in the modification of magnetic silica surfaces
Authors of publication	Singh, Gurjaspreet; Rani, Sunita; Arora, Aanchal; Aulakh, Darpandeep; Wriedt, Mario
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	7
Pages of publication	6200
a	8.3421 ± 0.0006 Å
b	13.3327 ± 0.001 Å
c	16.7969 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	1868.2 ± 0.2 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 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	0.0405
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0975
Weighted residual factors for all reflections included in the refinement	0.1007
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301851 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure.	7055532.cif
185588	2016-08-07	cif/ Updating files of 7055532, 7055533 Original log message: Adding full bibliography for 7055532--7055533.cif.	7055532.cif
182468	2016-05-04	cif/ Adding structures of 7055532, 7055533 via cif-deposit CGI script.	7055532.cif