Crystallography Open Database

Information card for entry 1551778

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Structure parameters

Formula	C21 H19 N O5
Calculated formula	C21 H19 N O5
SMILES	c1c2c(cc3[C@H]4N(Cc5c6c(ccc5[C@]4(C(=O)Cc13)C)OCO6)C)OCO2
Title of publication	X-ray Structure Analysis of (d)-11-Oxo-corynoline, a Hexahydrobenzo[c]phenanthridine-type Alkaloid
Authors of publication	KAMIGAUCHI, Miyoko; MAEKAWA, Yukiko; IN, Yasuko; ISHIDA, Toshimasa
Journal of publication	X-ray Structure Analysis Online
Year of publication	2009
Journal volume	25
Pages of publication	87
a	7.8481 ± 0.0006 Å
b	10.1203 ± 0.0008 Å
c	21.5728 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	1713.4 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0496
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1214
Weighted residual factors for all reflections included in the refinement	0.1224
Goodness-of-fit parameter for all reflections included in the refinement	1.184
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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