Crystallography Open Database

Information card for entry 7160070

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Coordinates	7160070.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 Cl N
Calculated formula	C16 H12 Cl N
Title of publication	Potent pincer-zinc catalyzed homogeneous α-alkylation and Friedländer quinoline synthesis reaction of secondary alcohols/ketones with primary alcohols.
Authors of publication	Jana, Debashis; Roy, Sima; Naskar, Srijita; Halder, Supriyo; Kanrar, Gopal; Pramanik, Kausikisankar
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	31
Pages of publication	6393 - 6408
a	7.6371 ± 0.0005 Å
b	12.4931 ± 0.0008 Å
c	13.437 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1282.04 ± 0.14 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0578
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.0976
Weighted residual factors for all reflections included in the refinement	0.1013
Goodness-of-fit parameter for all reflections included in the refinement	1.21
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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