Crystallography Open Database

Information card for entry 7132777

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Coordinates	7132777.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H33 N O7 S
Calculated formula	C41 H33 N O7 S
Title of publication	Enantioselective synthesis of tricyclic oxoquinolines <i>via</i> NHC-catalyzed Michael-aldol-lactamization-dehydration cascade.
Authors of publication	Barik, Shilpa; Sankar, Ganga; Biju, Akkattu T.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	32
Pages of publication	4290 - 4293
a	9.1592 ± 0.0003 Å
b	17.6405 ± 0.0005 Å
c	10.2784 ± 0.0003 Å
α	90°
β	94.192 ± 0.001°
γ	90°
Cell volume	1656.27 ± 0.09 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0741
Weighted residual factors for all reflections included in the refinement	0.0803
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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