Crystallography Open Database

Information card for entry 7706180

Preview

Coordinates	7706180.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C83 H118 N2 O5 Si
Calculated formula	C83 H118 N2 O5 Si
SMILES	[Si]1(=O)(C(CCC1(c1cc(c(c(c1)C(C)(C)C)OC)C(C)(C)C)c1cc(c(c(c1)C(C)(C)C)OC)C(C)(C)C)(c1cc(c(c(c1)C(C)(C)C)OC)C(C)(C)C)c1cc(c(c(c1)C(C)(C)C)OC)C(C)(C)C)[n]1ccc(cc1)N(C)C.c1ccccc1.c1ccccc1
Title of publication	Cleavage of C-O and C-H bonds in ethers by a genuine Si[double bond, length as m-dash]O bond.
Authors of publication	Kobayashi, Ryo; Ishida, Shintaro; Iwamoto, Takeaki
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	4
Pages of publication	1413 - 1421
a	17.7199 ± 0.0008 Å
b	18.1911 ± 0.0008 Å
c	26.3896 ± 0.0011 Å
α	90°
β	99.456 ± 0.001°
γ	90°
Cell volume	8391 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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 all reflections	0.126
Residual factor for significantly intense reflections	0.0883
Weighted residual factors for significantly intense reflections	0.2174
Weighted residual factors for all reflections included in the refinement	0.2419
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
261664 (current)	2021-02-05	cif/ Updating files of 7706178, 7706179, 7706180 Original log message: Adding full bibliography for 7706178--7706180.cif.	7706180.cif
260104	2020-12-23	cif/ Adding structures of 7706178, 7706179, 7706180 via cif-deposit CGI script.	7706180.cif