Crystallography Open Database

Information card for entry 8107260

Preview

Coordinates	8107260.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15 Br O2
Calculated formula	C18 H15 Br O2
Title of publication	Crystal structure of (E)-7-bromo-2-(4-methoxybenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C18H15BrO2
Authors of publication	Zhang, Yu-Long; Liu, Shu-Lian; Hou, Gui-Ge; Zhang, Xiao-Fan; Wang, Lei; Xin, Wen-Yu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2022
Journal volume	237
Journal issue	5
Pages of publication	945 - 947
a	9.1704 ± 0.0009 Å
b	16.5309 ± 0.0013 Å
c	10.3528 ± 0.0012 Å
α	90°
β	112.368 ± 0.012°
γ	90°
Cell volume	1451.3 ± 0.3 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0713
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.0582
Weighted residual factors for all reflections included in the refinement	0.0677
Goodness-of-fit parameter for all reflections included in the refinement	0.959
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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