Crystallography Open Database

Information card for entry 7156490

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Coordinates	7156490.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4-benzoyl-3-(dibenzo[b,d]thophen-4-yl)-8a-methyl-3,4,4a,5-tetrahydro-2H chromen-6(8a H)-one
Formula	C29 H24 O3 S
Calculated formula	C29 H24 O3 S
Title of publication	Rh-Catalyzed diastereoselective desymmetrization of enone tethered-cyclohexadienones via tandem arylative cyclization.
Authors of publication	Jadhav, Sandip B.; Thopate, Satish B.; Nanubolu, Jagadeesh Babu; Chegondi, Rambabu
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	7
Pages of publication	1937 - 1946
a	7.942 ± 0.004 Å
b	16.844 ± 0.01 Å
c	17.488 ± 0.011 Å
α	90°
β	90°
γ	90°
Cell volume	2339 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.1013
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.123
Weighted residual factors for all reflections included in the refinement	0.1498
Goodness-of-fit parameter for all reflections included in the refinement	0.922
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
225212 (current)	2019-11-08	cif/ Updating files of 7156490 Original log message: Adding full bibliography for 7156490.cif.	7156490.cif
211338	2018-10-06	cif/ Adding structures of 7156490 via cif-deposit CGI script.	7156490.cif