Crystallography Open Database

Information card for entry 2010385

2010384 << 2010385 >> 2010386

Preview

Coordinates	2010385.cif
Original IUCr paper	HTML

Structure parameters

Formula	C23 H23 N O3
Calculated formula	C23 H23 N O3
SMILES	O1[C@@]2(N(C[C@@H]3[C@H]4CC[C@@H]([C@H]13)C4)C(=O)c1c(O2)cccc1)c1ccc(cc1)C.O1[C@]2(N(C[C@H]3[C@@H]4CC[C@H]([C@@H]13)C4)C(=O)c1c(O2)cccc1)c1ccc(cc1)C
Title of publication	5a<i>r</i>-<i>p</i>-Tolyl-6a<i>t</i>,7<i>t</i>,8,9,10<i>t</i>,10a<i>t</i>-hexahydro-11<i>H</i>,13<i>H</i>-7,10-methano[1,3]benzoxazino[2,3-<i>b</i>][1,3]benzoxazin-13-one
Authors of publication	Kapor, A.; Stájer, G.; Frimpong-Manso, S.; Bernáth, G.
Journal of publication	Acta Crystallographica Section C
Year of publication	1995
Journal volume	51
Journal issue	1
Pages of publication	131 - 134
a	9.15 ± 0.004 Å
b	17.465 ± 0.006 Å
c	12.098 ± 0.005 Å
α	89.99 ± 0.02°
β	106.89 ± 0.02°
γ	89.99 ± 0.02°
Cell volume	1849.9 ± 1.3 Å³
Cell temperature	293 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.058
Goodness-of-fit parameter for significantly intense reflections	0.87
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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