Crystallography Open Database

Information card for entry 7156258

Preview

Coordinates	7156258.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H24 N2 O3
Calculated formula	C27 H24 N2 O3
Title of publication	Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.
Authors of publication	Cao, Jun; Sun, Jing; Yan, Chao-Guo
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	22
Pages of publication	4170 - 4175
a	7.3088 ± 0.0004 Å
b	12.204 ± 0.0006 Å
c	12.7704 ± 0.0006 Å
α	110.563 ± 0.0015°
β	96.8007 ± 0.0014°
γ	96.6011 ± 0.0016°
Cell volume	1043.87 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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 all reflections	0.07
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.103
Weighted residual factors for all reflections included in the refinement	0.1143
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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