Crystallography Open Database

Information card for entry 2202169

2202168 << 2202169 >> 2202170

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Original IUCr paper	HTML

Structure parameters

Chemical name	1-(12-benzoyl-10-oxa-12-azatetracyclo[6.3.1.0^2,7^.0^9,11^] dodeca-2,4,6-trien-1-yl)ethan-1-one
Formula	C19 H15 N O3
Calculated formula	C19 H15 N O3
SMILES	O1[C@H]2[C@H]3N([C@](c4ccccc34)([C@@H]12)C(=O)C)C(=O)c1ccccc1
Title of publication	1-(12-Benzoyl-10-oxa-12-azatetracyclo[6.3.1.0^2,7^.0^9,11^]dodeca-2,4,6-trien-1-yl)ethan-1-one
Authors of publication	Sema Öztürk; Mehmet Akkurt; Ebubekír Tepe; Frank W. Heinemann; Alíye (Alaylı) Altundaş; Yunus Kara
Journal of publication	Acta Crystallographica Section E
Year of publication	2003
Journal volume	59
Journal issue	5
Pages of publication	o635 - o637
a	7.829 ± 0.001 Å
b	13.874 ± 0.001 Å
c	14.079 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1529.3 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0574
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0877
Weighted residual factors for all reflections included in the refinement	0.097
Goodness-of-fit parameter for all reflections included in the refinement	0.977
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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