Crystallography Open Database

Information card for entry 7153290

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Structure parameters

Formula	C17 H20 N2 O
Calculated formula	C17 H20 N2 O
SMILES	O=C1NCCC[C@@]21Cc1c([nH]c3c1cccc3)C[C@@H]2C.O=C1NCCC[C@]21Cc1c([nH]c3c1cccc3)C[C@H]2C
Title of publication	Synthesis of spirocyclic carbazole- and acridine-lactams.
Authors of publication	Würdemann, Martina; Christoffers, Jens
Journal of publication	Organic & biomolecular chemistry
Year of publication	2010
Journal volume	8
Journal issue	8
Pages of publication	1894 - 1898
a	12.1906 ± 0.0008 Å
b	23.251 ± 0.002 Å
c	9.9292 ± 0.0007 Å
α	90°
β	97.453 ± 0.008°
γ	90°
Cell volume	2790.6 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1075
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0418
Weighted residual factors for all reflections included in the refinement	0.0513
Goodness-of-fit parameter for all reflections included in the refinement	0.52
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301861 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure.	7153290.cif
180318	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/32.	7153290.cif
92747	2014-01-12	cif/ Adding structures of 7153290 via cif-deposit CGI script.	7153290.cif