Crystallography Open Database

Information card for entry 7042367

Preview

Coordinates	7042367.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H32 P2 Si2
Calculated formula	C18 H32 P2 Si2
SMILES	C(C)([Si](C(C)C)(c1ccc(cc1)[Si](C(C)C)(C(C)C)P)P)C
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	7.1303 ± 0.0004 Å
b	8.7216 ± 0.0005 Å
c	9.2829 ± 0.0006 Å
α	82.676 ± 0.002°
β	83.138 ± 0.002°
γ	72.688 ± 0.002°
Cell volume	544.6 ± 0.06 Å³
Cell temperature	115 ± 2 K
Ambient diffraction temperature	115 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0413
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.1047
Weighted residual factors for all reflections included in the refinement	0.1092
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
196439 (current)	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.	7042367.cif
194115	2017-03-09	cif/ Adding structures of 7042367, 7042368, 7042369, 7042370, 7042371, 7042372, 7042373, 7042374, 7042375, 7042376 via cif-deposit CGI script.	7042367.cif