Crystallography Open Database

Information card for entry 4022892

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Coordinates	4022892.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H30 Cl6 N4 O4
Calculated formula	C39 H30 Cl6 N4 O4
Title of publication	Interaction of β-Lactam Carbenes with Aryl Isonitriles: An Unprecedented Rearrangement of 2-Azetidinonylidene Indoles to δ-Carbolinones
Authors of publication	Ying Cheng; Lan-Qing Cheng
Journal of publication	Journal of Organic Chemistry
Year of publication	2007
Journal volume	72
Pages of publication	2625 - 2630
a	9.378 ± 0.003 Å
b	9.474 ± 0.003 Å
c	12.814 ± 0.004 Å
α	74.499 ± 0.004°
β	73.807 ± 0.005°
γ	64.67 ± 0.005°
Cell volume	973.8 ± 0.5 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0865
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.0923
Weighted residual factors for all reflections included in the refinement	0.1142
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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