Crystallography Open Database

Information card for entry 1100178

Preview

Coordinates	1100178.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	3-(Diphenylmethyl)pent-2-yl 3,5-dinitrobenzoate
Formula	C25 H24 N2 O6
Calculated formula	C25 H24 N2 O6
Title of publication	Highly Regio- and Stereoselective Thermal Migration of Organoboranes in Acyclic Molecules
Authors of publication	Bromm, Lars O.; Laaziri, Hamid; Lhermitte, Frédéric; Harms, Klaus; Knochel, Paul
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Journal issue	41
Pages of publication	10218 - 10219
a	7.842 ± 0.001 Å
b	12.127 ± 0.001 Å
c	12.973 ± 0.001 Å
α	65.76 ± 0.01°
β	86.43 ± 0.01°
γ	81.31 ± 0.01°
Cell volume	1112.04 Å³
Ambient diffraction temperature	223 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	4.44
Weighted residual factors for significantly intense reflections	4.44
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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