Crystallography Open Database

Information card for entry 2202481

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Structure parameters

Chemical name	N-(4a-Morpholino-2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-yl)phenylamine
Formula	C23 H28 N2 O2
Calculated formula	C23 H28 N2 O2
SMILES	O1[C@]2(CCCC[C@H]2[C@@H](c2ccccc12)Nc1ccccc1)N1CCOCC1.O1[C@@]2(CCCC[C@@H]2[C@H](c2ccccc12)Nc1ccccc1)N1CCOCC1
Title of publication	<i>N</i>-(4a-Morpholino-2,3,4,4a,9,9a-hexahydro-1<i>H</i>-xanthen-9-yl)phenylamine
Authors of publication	Sundari Bhaskaran; S. Selvanayagam; D. Velmurugan; K. Ravikumar; M. Anniyappan; D. Muralidharan; P. T. Perumal
Journal of publication	Acta Crystallographica Section E
Year of publication	2003
Journal volume	59
Journal issue	9
Pages of publication	o1301 - o1303
a	9.6452 ± 0.0007 Å
b	10.1247 ± 0.0008 Å
c	11.1168 ± 0.0009 Å
α	81.359 ± 0.001°
β	80.165 ± 0.001°
γ	64.92 ± 0.001°
Cell volume	965.11 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0818
Residual factor for significantly intense reflections	0.0678
Weighted residual factors for significantly intense reflections	0.1674
Weighted residual factors for all reflections included in the refinement	0.1788
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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