Crystallography Open Database

Information card for entry 2023321

2023320 << 2023321 >> 2023322

Preview

Coordinates	2023321.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(2,7-Diethoxynaphthalene-1,8-diyl)bis[(4-bromophenyl)methanone]
Formula	C28 H22 Br2 O4
Calculated formula	C28 H22 Br2 O4
Title of publication	Crystal structure and Hirshfeld surface analysis of (2,7-diethoxynaphthalene-1,8-diyl)bis[(4-bromophenyl)methanone]
Authors of publication	Li, Kun; Yao, Jiali; Iitsuka, Hiroaki; Yonezawa, Noriyuki; Okamoto, Akiko
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	12
a	7.7456 ± 0.00014 Å
b	24.4234 ± 0.0004 Å
c	13.059 ± 0.0002 Å
α	90°
β	101.611 ± 0.0009°
γ	90°
Cell volume	2419.87 ± 0.07 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0429
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.1107
Weighted residual factors for all reflections included in the refinement	0.113
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
296084 (current)	2024-11-23	cif/ Adding structures of 2023321 via cif-deposit CGI script.	2023321.cif