Crystallography Open Database

Information card for entry 7241321

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Coordinates	7241321.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H53 N4 O9
Calculated formula	C70 H53 N4 O9
Title of publication	Gold(iii) promoted formation of dihydroquinazolinones: double X‒H activation by gold
Authors of publication	Kadiyala, Veerabhushanam; Kumar, Perla Bharath; Sunil, Komalla; Raju, Chittala Emmaniel; Sridhar, Balasubramanian; Karunakar, Galla V.
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	59
Pages of publication	35681 - 35691
a	9.1182 ± 0.0006 Å
b	13.8291 ± 0.001 Å
c	23.4126 ± 0.0016 Å
α	103.581 ± 0.001°
β	91.205 ± 0.002°
γ	98.758 ± 0.002°
Cell volume	2831.3 ± 0.3 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 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	0.1601
Residual factor for significantly intense reflections	0.0774
Weighted residual factors for significantly intense reflections	0.1557
Weighted residual factors for all reflections included in the refinement	0.2035
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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