Crystallography Open Database

Information card for entry 7247499

Preview

Coordinates	7247499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H32 O2 Si2
Calculated formula	C40 H32 O2 Si2
SMILES	[SiH2]1c2c3c(c([SiH2]c4c(COc5c(c6c(OCc7c1cccc7)cccc6)cccc5)cccc4)c1c2cccc1)cccc3
Title of publication	Probing local structure of glass with orientation-dependent luminescence.
Authors of publication	Tokoro, Yuichiro; Nakagawa, Tetsuya; Yamamoto, Shin-Ichi; Koizumi, Toshio; Oyama, Toshiyuki
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2023
Journal volume	25
Journal issue	41
Pages of publication	28113 - 28118
a	10.4534 ± 0.0001 Å
b	12.101 ± 0.0001 Å
c	13.6441 ± 0.0001 Å
α	110.811 ± 0.001°
β	104.524 ± 0.001°
γ	95.283 ± 0.001°
Cell volume	1530.15 ± 0.03 Å³
Cell temperature	223 K
Ambient diffraction temperature	223 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	0.041
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.1022
Weighted residual factors for all reflections included in the refinement	0.1042
Goodness-of-fit parameter for all reflections included in the refinement	1.0412
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
287420 (current)	2023-11-06	cif/ Updating files of 7247498, 7247499, 7247500, 7247501 Original log message: Adding full bibliography for 7247498--7247501.cif.	7247499.cif
286953	2023-10-13	cif/ Adding structures of 7247498, 7247499, 7247500, 7247501 via cif-deposit CGI script.	7247499.cif