Crystallography Open Database

Information card for entry 4029775

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Structure parameters

Formula	C24 H31 N O4
Calculated formula	C24 H31 N O4
SMILES	[NH2+](Cc1ccccc1)Cc1ccccc1.C(=O)([O-])[C@H]1C([C@](CC1)(C(=O)O)C)(C)C
Title of publication	Chiral gels derived from secondary ammonium salts of (1R,3S)-(+)-camphoric acid.
Authors of publication	Adalder, Tapas Kumar; Adarsh, N. N.; Sankolli, Ravish; Dastidar, Parthasarathi
Journal of publication	Beilstein journal of organic chemistry
Year of publication	2010
Journal volume	6
Pages of publication	848 - 858
a	6.6454 ± 0.0003 Å
b	17.9624 ± 0.0009 Å
c	9.3062 ± 0.0004 Å
α	90°
β	98.981 ± 0.004°
γ	90°
Cell volume	1097.24 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0845
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1039
Weighted residual factors for all reflections included in the refinement	0.1153
Goodness-of-fit parameter for all reflections included in the refinement	0.923
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
301812 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 4/02/ Each referenced PubChem compound corresponds to the full crystal structure.	4029775.cif
178476	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/97.	4029775.cif
120295	2014-07-14	cif/ Adding structures of 4029775 via cif-deposit CGI script.	4029775.cif