Crystallography Open Database

Information card for entry 1556953

Preview

Structure parameters

Chemical name	5,8,13,13-Tetrachloro-13<i>H</i>-dibenzo[<i>a</i>,<i>i</i>]fluorene cyclohexane hemisolvate
Formula	C24 H16 Cl4
Calculated formula	C24 H16 Cl4
Title of publication	5,8,13,13-Tetrachloro-13<i>H</i>-dibenzo[<i>a</i>,<i>i</i>]fluorene cyclohexane hemisolvate
Authors of publication	Detert, Heiner; Schollmeyer, Dieter
Journal of publication	IUCrData
Year of publication	2019
Journal volume	4
Journal issue	2
Pages of publication	x190236
a	13.7822 ± 0.0006 Å
b	10.7752 ± 0.0004 Å
c	27.0787 ± 0.0013 Å
α	90°
β	99.901 ± 0.004°
γ	90°
Cell volume	3961.5 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/c 1
Hall space group symbol	-I 2yc
Residual factor for all reflections	0.0481
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0953
Weighted residual factors for all reflections included in the refinement	0.1023
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
274690 (current)	2022-04-26	cif/1/55/69/ Updated bibliographic information in entry 1556953.	1556953.cif 1556953.hkl
246632	2020-01-10	cif/ hkl/ Updating files of 1556953 Original log message: Adding '_space_group_symop_id'.	1556953.cif 1556953.hkl
246631	2020-01-10	cif/ hkl/ Adding structures of 1556953 via cif-deposit CGI script.	1556953.cif 1556953.hkl