Crystallography Open Database

Information card for entry 2108601

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Structure parameters

Formula	C36 H50 Si2
Calculated formula	C36 H50 Si2
SMILES	C(#Cc1c2ccccc2c(c2c1cccc2)C#C[Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C
Title of publication	Synthesis, crystal structure, polymorphism and microscopic luminescence properties of anthracene derivative compounds
Authors of publication	Moliterni, Anna; Altamura, Davide; Lassandro, Rocco; Olieric, Vincent; Ferri, Gianmarco; Cardarelli, Francesco; Camposeo, Andrea; Pisignano, Dario; Anthony, John E.; Giannini, Cinzia
Journal of publication	Acta Crystallographica Section B
Year of publication	2020
Journal volume	76
Journal issue	3
a	8.602 ± 0.0017 Å
b	10.085 ± 0.002 Å
c	11.209 ± 0.002 Å
α	115.07 ± 0.03°
β	102.61 ± 0.03°
γ	98.82 ± 0.03°
Cell volume	825.6 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0395
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.1151
Weighted residual factors for all reflections included in the refinement	0.1162
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.72932 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
252089 (current)	2020-05-16	cif/ hkl/ Adding structures of 2108600, 2108601 via cif-deposit CGI script.	2108601.cif 2108601.hkl