Crystallography Open Database

Information card for entry 7204278

7204277 << 7204278 >> 7204279

Preview

Coordinates	7204278.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H38 S2
Calculated formula	C33 H38 S2
SMILES	s1c(c2cc3c(cc2)c2c(C3(CCCCCC)CCCCCC)cc(cc2)c2sccc2)ccc1
Title of publication	Synthesis and crystal structure and optical properties of fluorenic-core oligomers
Authors of publication	Destri, Silvia; Pasini, Mariacecilia; Botta, Chiara; Porzio, William; Bertini, Fabio; Marchiò, Luciano
Journal of publication	Journal of Materials Chemistry
Year of publication	2002
Journal volume	12
Journal issue	4
Pages of publication	924
a	16.563 ± 0.001 Å
b	16.563 ± 0.001 Å
c	20.657 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	5666.9 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0786
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.0914
Weighted residual factors for all reflections included in the refinement	0.0944
Goodness-of-fit parameter for all reflections included in the refinement	0.728
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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