Crystallography Open Database

Information card for entry 1558470

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Structure parameters

Common name	6,9-methano-7,9b-diphenyl-1,2,3,5a,6,7,8,9,9a,9b-decahydroimidazo [2,1-a]isoindol-5-one
Formula	C23 H24 N2 O
Calculated formula	C23 H24 N2 O
SMILES	O=C1N2CCN[C@@]2([C@@H]2[C@H]1[C@@H]1[C@H](C[C@H]2C1)c1ccccc1)c1ccccc1.O=C1N2CCN[C@]2([C@H]2[C@@H]1[C@H]1[C@@H](C[C@@H]2C1)c1ccccc1)c1ccccc1
Title of publication	X-Ray Structure Determination of a Saturated Methylene-bridged Diphenylimidazo[2,1-a]isoindolone
Authors of publication	Stajer, Geza; Sillanpaa, Reijo; Pihlaja, Kalevi
Journal of publication	Acta Chemica Scandinavica
Year of publication	1994
Journal volume	48
Pages of publication	603 - 605
a	7.668 ± 0.002 Å
b	23.038 ± 0.003 Å
c	10.2654 ± 0.0008 Å
α	90°
β	94.65 ± 0.01°
γ	90°
Cell volume	1807.5 ± 0.5 Å³
Ambient diffraction temperature	296 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.053
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1558470.cif
253665	2020-07-02	cif/ Adding structures of 1558470 via cif-deposit CGI script.	1558470.cif