Crystallography Open Database

Information card for entry 4028976

Preview

Coordinates	4028976.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H30 N2 S3
Calculated formula	C40 H30 N2 S3
Title of publication	Systematic structure-property investigations on a series of alternating carbazole-thiophene oligomers.
Authors of publication	Kato, Shin-Ichiro; Shimizu, Satoru; Kobayashi, Atsushi; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke
Journal of publication	The Journal of organic chemistry
Year of publication	2014
Journal volume	79
Journal issue	2
Pages of publication	618 - 629
a	36.1535 ± 0.0013 Å
b	36.1535 ± 0.0013 Å
c	12.2934 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	13915.6 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0916
Residual factor for significantly intense reflections	0.0906
Weighted residual factors for significantly intense reflections	0.2119
Weighted residual factors for all reflections included in the refinement	0.2131
Goodness-of-fit parameter for all reflections included in the refinement	1.202
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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