Crystallography Open Database

Information card for entry 7242107

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Structure parameters

Formula	C22 H16 N2 O
Calculated formula	C22 H16 N2 O
SMILES	c1c(cc(nc1Oc1ccccc1)c1ncccc1)c1ccccc1
Title of publication	An efficient synthesis of 4-phenoxy-quinazoline, 2-phenoxy-quinoxaline, and 2-phenoxy-pyridine derivatives using aryne chemistry
Authors of publication	Zilla, Mahesh K.; Mahajan, Sheena; Khajuria, Rajni; Gupta, Vivek K.; Kapoor, Kamal K.; Ali, Asif
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	6
Pages of publication	3477 - 3483
a	8.1694 ± 0.0012 Å
b	9.7524 ± 0.0016 Å
c	11.898 ± 0.0018 Å
α	73.012 ± 0.014°
β	75.211 ± 0.013°
γ	67.352 ± 0.015°
Cell volume	825.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0945
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1235
Weighted residual factors for all reflections included in the refinement	0.1519
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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