Crystallography Open Database

Information card for entry 1552969

Preview

Coordinates	1552969.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H26 O4
Calculated formula	C37 H26 O4
Title of publication	Highly efficient and practical resolution of 2,3:6,7-dibenzobicyclo[3.3.1]nona-2,6-diene-4,8-dione and stereoselective synthesis of its chiral diamine derivatives
Authors of publication	Wang, Bin; Gu, Zhenhua
Journal of publication	Org. Chem. Front.
Year of publication	2014
Journal volume	1
Journal issue	3
Pages of publication	271
a	13.1215 ± 0.0007 Å
b	11.0922 ± 0.0005 Å
c	9.3453 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1360.17 ± 0.11 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 2 K
Number of distinct elements	3
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0843
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.0969
Weighted residual factors for all reflections included in the refinement	0.1177
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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