Crystallography Open Database

Information card for entry 1571017

Preview

Coordinates	1571017.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H27 O Si4
Calculated formula	C10 H27 O Si4
Title of publication	Wavelength-dependent rearrangements of an α-dione chromophore: a chemical pearl in a bis(hypersilyl) oyster.
Authors of publication	Glotz, Gabriel; Drusgala, Manfred; Hamm, Florian; Fischer, Roland C.; Došlić, Nađa; Kelterer, Anne-Marie; Gescheidt, Georg; Haas, Michael
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	12
Pages of publication	4427 - 4433
a	9.377 ± 0.005 Å
b	9.613 ± 0.007 Å
c	11.879 ± 0.007 Å
α	70.53 ± 0.02°
β	71.722 ± 0.015°
γ	61.483 ± 0.015°
Cell volume	871.5 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.68 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	0.1075
Residual factor for significantly intense reflections	0.0727
Weighted residual factors for significantly intense reflections	0.1988
Weighted residual factors for all reflections included in the refinement	0.2205
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
290862 (current)	2024-04-05	cif/ Updating files of 1571016, 1571017 Original log message: Adding full bibliography for 1571016--1571017.cif.	1571017.cif
289831	2024-02-16	cif/ Adding structures of 1571016, 1571017 via cif-deposit CGI script.	1571017.cif