Crystallography Open Database

Information card for entry 7157690

Preview

Coordinates	7157690.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H12 F N2
Calculated formula	C20 H12 F N2
Title of publication	TMSOTf-catalyzed synthesis of substituted quinazolines using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions.
Authors of publication	Chan, Chieh-Kai; Lai, Chien-Yu; Wang, Cheng-Chung
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	36
Pages of publication	7201 - 7212
a	10.3439 ± 0.0004 Å
b	6.8286 ± 0.0002 Å
c	20.1913 ± 0.0007 Å
α	90°
β	97.86 ± 0.001°
γ	90°
Cell volume	1412.8 ± 0.08 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 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	0.0481
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.109
Weighted residual factors for all reflections included in the refinement	0.114
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
258972 (current)	2020-11-06	cif/ Updating files of 7157689, 7157690, 7157691, 7157692, 7157693, 7157694 Original log message: Adding full bibliography for 7157689--7157694.cif.	7157690.cif
255820	2020-09-03	cif/ Adding structures of 7157689, 7157690, 7157691, 7157692, 7157693, 7157694 via cif-deposit CGI script.	7157690.cif