Crystallography Open Database

Information card for entry 1571016

Preview

Coordinates	1571016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H54 O2 Si8
Calculated formula	C20 H54 O2 Si8
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	9.2895 ± 0.0006 Å
b	9.5681 ± 0.0006 Å
c	12.3723 ± 0.0007 Å
α	93.065 ± 0.003°
β	108.756 ± 0.003°
γ	118.62 ± 0.003°
Cell volume	885.12 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.8 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0803
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for significantly intense reflections	0.1456
Weighted residual factors for all reflections included in the refinement	0.1631
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
290862 (current)	2024-04-05	cif/ Updating files of 1571016, 1571017 Original log message: Adding full bibliography for 1571016--1571017.cif.	1571016.cif
289831	2024-02-16	cif/ Adding structures of 1571016, 1571017 via cif-deposit CGI script.	1571016.cif