Crystallography Open Database

Information card for entry 1562005

1562004 << 1562005 >> 1562006

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Structure parameters

Formula	C24 H30 N2 O
Calculated formula	C24 H30 N2 O
SMILES	O=C1[C@@](N(C)[C@H](N1C)C(C)(C)C)(C(=C\c1ccccc1)\C)c1ccccc1
Title of publication	Asymmetric hydroalkylation of alkynes and allenes with imidazolidinone derivatives: α-alkenylation of α-amino acids
Authors of publication	Panahi, Farhad; Khosravi, Hormoz; Bauer, Felix; Breit, Bernhard
Journal of publication	Chemical Science
Year of publication	2021
Journal volume	12
Journal issue	21
Pages of publication	7388 - 7392
a	9.138 ± 0.0011 Å
b	13.8136 ± 0.0018 Å
c	15.8299 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	1998.2 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0609
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.0843
Weighted residual factors for all reflections included in the refinement	0.0917
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
301787 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/56 Each referenced PubChem compound corresponds to the full crystal structure.	1562005.cif
265936	2021-06-05	cif/ Updating files of 1562005 Original log message: Adding full bibliography for 1562005.cif.	1562005.cif
264431	2021-04-23	cif/ Adding structures of 1562005 via cif-deposit CGI script.	1562005.cif