Crystallography Open Database

Information card for entry 2023250

2023249 << 2023250 >> 2023251

Preview

Coordinates	2023250.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	4'-Cyano-[1,1'-biphenyl]-4-yl 3-(benzyloxy)benzoate
Formula	C27 H19 N O3
Calculated formula	C27 H19 N O3
Title of publication	Synthesis, crystal structure and Hirshfeld surface analysis of 4′-cyano-[1,1′-biphenyl]-4-yl 3-(benzyloxy)benzoate
Authors of publication	Harish Kumar, M.; Vinduvahini, M.; Devarajegowda, H. C.; Srinivasa, H. T.; Palakshamurthy, B. S.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	10
a	9.4289 ± 0.001 Å
b	9.6739 ± 0.0009 Å
c	11.4872 ± 0.0011 Å
α	90°
β	97.668 ± 0.004°
γ	90°
Cell volume	1038.43 ± 0.18 Å³
Cell temperature	270 ± 2 K
Ambient diffraction temperature	270 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0432
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0777
Weighted residual factors for all reflections included in the refinement	0.0795
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
294736 (current)	2024-09-13	cif/ Adding structures of 2023250 via cif-deposit CGI script.	2023250.cif