Crystallography Open Database

Information card for entry 7042370

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Structure parameters

Chemical name	1,4-bis(diisopropylsilylchloro)benzene
Formula	C18 H32 Cl2 Si2
Calculated formula	C18 H32 Cl2 Si2
SMILES	C(C)(C)[Si](c1ccc(cc1)[Si](C(C)C)(C(C)C)Cl)(C(C)C)Cl
Title of publication	Synthesis of heteroatomic bridged paracyclophanes.
Authors of publication	Reuter, K.; Maas, R. G. M.; Reuter, A.; Kilgenstein, F.; Asfaha, Y.; von Hänisch, C
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	14
Pages of publication	4530 - 4541
a	8.7688 ± 0.0004 Å
b	10.4447 ± 0.0005 Å
c	11.9094 ± 0.0006 Å
α	90°
β	103.242 ± 0.004°
γ	90°
Cell volume	1061.75 ± 0.09 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0426
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0815
Weighted residual factors for all reflections included in the refinement	0.0846
Goodness-of-fit parameter for all reflections included in the refinement	0.961
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
301850 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure.	7042370.cif
196439	2017-05-06	cif/ Updating files of 7042367, 7042368, 7042369, 7042370, 7042371, 7042372, 7042373, 7042374, 7042375, 7042376 Original log message: Adding full bibliography for 7042367--7042376.cif.	7042370.cif
194115	2017-03-09	cif/ Adding structures of 7042367, 7042368, 7042369, 7042370, 7042371, 7042372, 7042373, 7042374, 7042375, 7042376 via cif-deposit CGI script.	7042370.cif