Crystallography Open Database

Information card for entry 7238723

Preview

Coordinates	7238723.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H48 Br2 N4 O4
Calculated formula	C53 H48 Br2 N4 O4
Title of publication	A carbanion induced ring switching synthesis of spiranes: an unprecedented approach
Authors of publication	Maurya, Hardesh K.; Pratap, Ramendra; Kumar, Abhinav; Kumar, Brijesh; Huch, Volker; Tandon, Vishnu K.; Ji Ram, Vishnu
Journal of publication	RSC Advances
Year of publication	2012
Journal volume	2
Journal issue	24
Pages of publication	9091
a	7.883 ± 0.005 Å
b	11.024 ± 0.005 Å
c	14.736 ± 0.005 Å
α	110.363 ± 0.005°
β	96.456 ± 0.005°
γ	104.041 ± 0.005°
Cell volume	1137.1 ± 1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1261
Residual factor for significantly intense reflections	0.0714
Weighted residual factors for significantly intense reflections	0.1698
Weighted residual factors for all reflections included in the refinement	0.2021
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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