Crystallography Open Database

Information card for entry 8105612

Preview

Coordinates	8105612.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 N2 O2
Calculated formula	C26 H22 N2 O2
Title of publication	Crystal structure of 1-(5-(anthracen-9-yl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)propan-1-one, C26H22N2O2
Authors of publication	Feng, Qi; Wang, Jiali; Huan, Wenhui; Lu, Jiadan; Diao, Guowang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	234
Journal issue	2
Pages of publication	261 - 263
a	16.4367 ± 0.0008 Å
b	12.7804 ± 0.0006 Å
c	19.5474 ± 0.0008 Å
α	90°
β	96.17 ± 0.0014°
γ	90°
Cell volume	4082.5 ± 0.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.0986
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.1415
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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