Crystallography Open Database

Information card for entry 1575412

Preview

Coordinates	1575412.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24.4 H13.6 Cl0.8 F4.8 P0.79 S2
Calculated formula	C24.4 H13.6 Cl0.8 F4.8 P0.8 S2
Title of publication	Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties
Authors of publication	Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	38
Pages of publication	6333 - 6340
a	13.754 ± 0.0002 Å
b	13.8852 ± 0.0002 Å
c	14.6689 ± 0.0003 Å
α	71.394 ± 0.002°
β	86.012 ± 0.001°
γ	79.459 ± 0.001°
Cell volume	2610.01 ± 0.08 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1079
Residual factor for significantly intense reflections	0.0837
Weighted residual factors for significantly intense reflections	0.2374
Weighted residual factors for all reflections included in the refinement	0.2592
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
302595 (current)	2025-10-06	cif/ Updating files of 1575411, 1575412, 1575413, 1575414, 1575415, 1575416, 1575417, 1575418, 1575419, 1575420, 1575421, 1575422, 1575423, 1575424, 1575425, 1575426, 1575427, 1575428 Original log message: Adding full bibliography for 1575411--1575428.cif.	1575412.cif
301733	2025-08-14	cif/ Adding structures of 1575411, 1575412, 1575413, 1575414, 1575415, 1575416, 1575417, 1575418, 1575419, 1575420, 1575421, 1575422, 1575423, 1575424, 1575425, 1575426, 1575427, 1575428 via cif-deposit CGI script.	1575412.cif