Crystallography Open Database

Information card for entry 2023401

2023400 << 2023401 >> 2023402

Preview

Coordinates	2023401.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	1,1',1''-[(2-Bromoethoxy)methanetriyl]tribenzene
Formula	C21 H19 Br O
Calculated formula	C21 H19 Br O
Title of publication	Synthesis and structure of 1,1',1''-[(2-bromo-eth-oxy)methane-tri-yl]tri-benzene and 1,1',1''-[(2-iodoeth-oxy)methane-tri-yl]tri-benzene.
Authors of publication	Fischer, Julian; Hebenbrock, Marian
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2025
Journal volume	81
Journal issue	Pt 3
Pages of publication	214 - 218
a	19.2056 ± 0.0005 Å
b	10.5517 ± 0.0003 Å
c	17.4704 ± 0.0005 Å
α	90°
β	107.512 ± 0.001°
γ	90°
Cell volume	3376.32 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0377
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.085
Weighted residual factors for all reflections included in the refinement	0.0883
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
299178 (current)	2025-04-05	cif/ Updating files of 2023401, 2023402 Original log message: Adding full bibliography for 2023401--2023402.cif.	2023401.cif
297751	2025-02-15	cif/ Adding structures of 2023401, 2023402 via cif-deposit CGI script.	2023401.cif