Crystallography Open Database

Information card for entry 4023046

Preview

Coordinates	4023046.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H25 N O7
Calculated formula	C25 H25 N O7
SMILES	O=C1CCCN2C1(OC)c1c(C2=O)c2c(c3c1cc(OC)c(OC)c3)cc(OC)c(OC)c2
Title of publication	Efficient Synthesis of a New Structural Phenanthro[9,10,3',4']indolizidine Starting from Pyrrole
Authors of publication	Kailiang Wang; Qingmin Wang; Runqiu Huang
Journal of publication	Journal of Organic Chemistry
Year of publication	2007
Journal volume	72
Pages of publication	8416 - 8421
a	8.037 ± 0.002 Å
b	9.317 ± 0.002 Å
c	31.679 ± 0.007 Å
α	90°
β	96.341 ± 0.004°
γ	90°
Cell volume	2357.6 ± 1 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 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 all reflections	0.0879
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.122
Weighted residual factors for all reflections included in the refinement	0.1442
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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