Crystallography Open Database

Information card for entry 2023364

2023363 << 2023364 >> 2023365

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Coordinates	2023364.cif
Original IUCr paper	HTML

Structure parameters

Common name	5,10-Bis(phenylsulfonyl)tetrahydrodibenzopentalene
Chemical name	8,16-Bis(benzenesulfonyl)tetracyclo[7.7.0.0^2,7^.0^10,15^]hexadeca-2,4,6,10(15),11,13-hexaene
Formula	C28 H22 O4 S2
Calculated formula	C28 H22 O4 S2
Title of publication	Synthesis and crystal structure of 5,10-bis(phenylsulfonyl)tetrahydrodibenzopentalene
Authors of publication	Sakami, Toshiki; Watanabe, Hikaru; Sato, Takuma; Okuda, Yasuhiro; Wakamatsu, Kan; Akashi, Haruo; Orita, Akihiro
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2025
Journal volume	81
Journal issue	2
a	17.2598 ± 0.0003 Å
b	10.0898 ± 0.0001 Å
c	13.181 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2295.44 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0346
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0796
Weighted residual factors for all reflections included in the refinement	0.0878
Goodness-of-fit parameter for all reflections included in the refinement	1.125
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
297519 (current)	2025-01-29	cif/ Adding structures of 2023364 via cif-deposit CGI script.	2023364.cif