Crystallography Open Database

Information card for entry 7135285

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Coordinates	7135285.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H36 N4 O6
Calculated formula	C34 H36 N4 O6
Title of publication	Ru-Catalyzed C-H Annulation: Accessing Quinazolinone-BCP Hybrids from Stable Precursors
Authors of publication	Luan, Yu-Yong; Li, Jin-Ye; Liu, Xue-Yuan; Liang, Yong-Min
Journal of publication	Chemical Communications
Year of publication	2026
a	9.0582 ± 0.0001 Å
b	11.4917 ± 0.0002 Å
c	16.1874 ± 0.0002 Å
α	102.344 ± 0.001°
β	104.774 ± 0.001°
γ	102.029 ± 0.001°
Cell volume	1528.74 ± 0.04 Å³
Cell temperature	295.52 ± 0.1 K
Ambient diffraction temperature	295.52 ± 0.1 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	0.0512
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1376
Weighted residual factors for all reflections included in the refinement	0.1414
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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