Crystallography Open Database

Information card for entry 7704128

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Structure parameters

Common name	(4-nacac-2-tertbutyl-phenanthridine)
Formula	C22 H24 N2 O
Calculated formula	C22 H24 N2 O
SMILES	c1c2ccccc2c2c(c(cc(c2)C(C)(C)C)N/C(C)=C\C(=O)C)n1
Title of publication	Monofunctional platinum(ii) anticancer complexes based on multidentate phenanthridine-containing ligand frameworks.
Authors of publication	Lozada, Issiah B.; Huang, Bin; Stilgenbauer, Morgan; Beach, Travis; Qiu, Zihan; Zheng, Yaorong; Herbert, David E.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	20
Pages of publication	6557 - 6560
a	13.084 ± 0.0008 Å
b	15.8238 ± 0.0009 Å
c	8.6839 ± 0.0005 Å
α	90°
β	98.385 ± 0.003°
γ	90°
Cell volume	1778.68 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0793
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.141
Weighted residual factors for all reflections included in the refinement	0.1499
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
301878 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure.	7704128.cif
252796	2020-06-05	cif/ Updating files of 7704128, 7704129 Original log message: Adding full bibliography for 7704128--7704129.cif.	7704128.cif
250964	2020-04-21	cif/ Adding structures of 7704128, 7704129 via cif-deposit CGI script.	7704128.cif