Crystallography Open Database

Information card for entry 7130041

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Coordinates	7130041.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H38 N4 O5 S
Calculated formula	C42 H38 N4 O5 S
Title of publication	Cooperative catalysis-enabled C-N bond cleavage of biaryl lactams with activated isocyanides
Authors of publication	Wang, Wen-Tao; Zhang, Sen; Tao, Ling-Fei; Pan, Zi-Qi; Qian, Linghui; Liao, Jia-Yu
Journal of publication	Chemical Communications
Year of publication	2022
a	11.8054 ± 0.0016 Å
b	17.024 ± 0.002 Å
c	17.981 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3613.7 ± 0.8 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0513
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.1065
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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